7-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
7-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K026-0263 |
| Compound Name: | 7-hydroxy-3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 323.26 |
| Molecular Formula: | C16 H9 N3 O5 |
| Smiles: | C1=C(C(=O)Oc2cc(ccc12)O)c1nc2ccc(cc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.693 |
| logD: | 2.6202 |
| logSw: | -3.1947 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.178 |
| InChI Key: | MCMYFWWOEFBOES-UHFFFAOYSA-N |