![C31h20n2O7 6h-Flour [2 ', 3': 4,5] oxyazolo [3,2-a] -2,3,5. (9Ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C31h20n2O7 6h-Flour [2 ', 3': 4,5] oxyazolo [3,2-a] -2,3,5. (9Ci, ACI)
| Sipat fisik konci | Nilai | Kaayaan |
| Beurat molekular | 542.58 | - |
| Titik ngagolak (diprediksi) | 692.9 ± 65.0 ° C | Pencét: 760 Torr |
| Kapadetan (diprediksi) | 1.33 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr |
| Pair (diprediksi) | 12.51 ± 0,60 | TEMP anu paling asam: 25 ° C |
Kanonical imut o = c1n = c2oc3c (o) c (OC3N2C = c1c) cocc (c = cc = cp = cp = c.
Isomeerik isom c (OC [C @ H] 1o [c @@] 2 ([C @)
Atchi
Inchi = 1s / c31h20n2o7 / c1-19-17-33-33-33-33 (40-30 (33) 32-28 (39-29) 25-38 (36-21 (36-21 (36-21
) 22-11-15-24 (37-3) 16-12-22 / H4-17,25-27,29,39,34h, 18-1-3h3,
Konci inci
Bqeqcccnllikssh-citkvlssa-n
1 ngaran sanés pikeun zat ieu
(2r, 3R, 3:00) -2 - [[BIS (4--Metroopyphensil) Phenyilmmonfa-3.3.
Spéktra sayogi
1h nmr
13c nmr
Nimbulkeun massa
| Sipat sayogi |
| Biologis |
| Kimia |
| Perténaran |
| Lipinski |
| Struktur patali |
| Theresalia |
Biologis
| Harta | Nilai | Kaayaan | Sumber |
| Faktor bioconcation | 2800 | pH 1; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 2800 | pH 2; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 2800 | pH 3; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 2800 | pH 4; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 2800 | pH 5; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 2800 | pH 6; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 2800 | pH 7; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 2800 | pH 8; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 2800 | pH 9; Temp: 25 ° C | (1) ACD |
| Faktor bioconcation | 2790 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Kimia
| Harta | Nilai | Kaayaan | Sumber |
| Kub | 10200 | pH 1; Temp: 25 ° C | (1) ACD |
| Kub | 10200 | pH 2; Temp: 25 ° C | (1) ACD |
| Kub | 10200 | pH 3; Temp: 25 ° C | (1) ACD |
| Kub | 10200 | pH 4; Temp: 25 ° C | (1) ACD |
| Kub | 10200 | pH 5; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kub | 10200 | pH 6; Temp: 25 ° C | (1) ACD |
| Kub | 10200 | pH 7; Temp: 25 ° C | (1) ACD |
| Kub | 10200 | pH 8; Temp: 25 ° C | (1) ACD |
| Kub | 10200 | pH 9; Temp: 25 ° C | (1) ACD |
| Kub | 10200 | pH 10; Temp: 25 ° C | (1) ACD |
| log As | 4.84 | pH 1; Temp: 25 ° C | (1) ACD |
| log As | 4.84 | pH 2; Temp: 25 ° C | (1) ACD |
| log As | 4.84 | pH 3; Temp: 25 ° C | (1) ACD |
| log As | 4.84 | pH 4; Temp: 25 ° C | (1) ACD |
| log As | 4.84 | pH 5; Temp: 25 ° C | (1) ACD |
| log As | 4.84 | pH 6; Temp: 25 ° C | (1) ACD |
| log As | 4.84 | pH 7; Temp: 25 ° C | (1) ACD |
| log As | 4.84 | pH 8; Temp: 25 ° C | (1) ACD |
| log As | 4.84 | pH 9; Temp: 25 ° C | (1) ACD |
| log As | 4.84 | pH 10; Temp: 25 ° C | (1) ACD |
| logp | 4.839 ± 0,618 | Temp: 25 ° C | (1) ACD |
| Kebar intrinsik massic | 3.6 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.6 x 10-4 g / l | pH 1; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.6 x 10-4 g / l | pH 2; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.6 x 10-4 g / l | pH 3; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.6 x 10-4 g / l | pH 4; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.6 x 10-4 g / l | pH 5; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.6 x 10-4 g / l | pH 6; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.6 x 10-4 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.6 x 10-4 g / l | pH 8; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.6 x 10-4 g / l | pH 9; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.6 x 10-4 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Sahubat massa | 3.6 x 10-4 g / l | Cai pH 7,00; Temp: 25 ° C | (1) ACD |
| Kebar intrinsik molar | 6,6 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 1; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 2; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 3; Temp: 25 ° C | (1) ACD |
| Harta | Nilai | Kaayaan | Sumber |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 4; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 5; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 6; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 8; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | pH 9; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,7 x 10-7 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Kahirupan molar | 6,6 x 10-7 mol / l | Cai pH 7,00; Temp: 25 ° C | (1) ACD |
| Beurat molekular | 542.58 | ||
| Pka | 12.51 ± 0,60 | TEMP anu paling asam: 25 ° C | (1) ACD |
| Pka | -4.38 ± 0,60 | Paling dasar temp: 25 ° C | (1) ACD |
| Tekenan uap | 3.73 x 10-20 Torr | Temp: 25 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Perténaran
| Harta | Nilai | Kaayaan | Sumber |
| Perténaran | 1.33 ± 0,1 g / cm3 | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
| Masar | 404.9 ± 7.0 cm3 / mol | Temp: 20 ° C; Pencét: 760 Torr | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Lipinski
| Harta | Nilai | Kaayaan | Sumber |
| Beungkeut bébas rotét | 9 | (1) ACD | |
| H panarima | 9 | (1) ACD | |
| H donor | 1 | (1) ACD | |
| H donor / panarima | 10 | (1) ACD | |
| logp | 4.839 ± 0,618 | Temp: 25 ° C | (1) ACD |
| Beurat molekular | 542.58 |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Struktur patali
| Harta | Nilai | Kaayaan | Sumber |
| Daérah permukaan polar | 99.1 A2 | (1) ACD | |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Theresalia
| Harta | Nilai | Kaayaan | Sumber |
| Titik anu ngagolak | 692.9 ± 65.0 ° C | Pencét: 760 Torr | (1) ACD |
| Enthalpy tina vaporisasi | 106.61 ± 3.0 kj / mol | Pencét: 760 Torr | (1) ACD |
| Titik kaingetan | 372.8 ± 34,3 ° C | (1) ACD |
(1) Diitung nganggo pangembangan kimia maju (ACD / Lab) Software v11.02 (© 199-202 Acd / LCS)
Spéktra sayogi
1h nmr
13c nmr
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