4-nitro-11-(nitrooxy)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diyl diacetate
Chemical Structure Depiction of
4-nitro-11-(nitrooxy)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diyl diacetate
4-nitro-11-(nitrooxy)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diyl diacetate
Compound characteristics
| Compound ID: | 8015-6427 |
| Compound Name: | 4-nitro-11-(nitrooxy)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diyl diacetate |
| Molecular Weight: | 486.48 |
| Molecular Formula: | C24 H26 N2 O9 |
| Smiles: | [H][C@]12c3ccc(c(c3CC[C@@]2([H])[C@]2([H])CC[C@@](C#C)([C@@]2(C)C[C@H]1O[N+]([O-])=O)OC(C)=O)[N+]([O-])=O)OC(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0705 |
| logD: | 4.0705 |
| logSw: | -4.8788 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 117.588 |
| InChI Key: | KHIFRVUISMZXPR-OCXNVGASSA-N |