3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K026-0249 |
| Compound Name: | 3-(6-nitro-1H-benzimidazol-2-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 307.26 |
| Molecular Formula: | C16 H9 N3 O4 |
| Smiles: | C1=C(C(=O)Oc2ccccc12)c1nc2ccc(cc2[nH]1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1246 |
| logD: | 3.124 |
| logSw: | -3.5783 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.561 |
| InChI Key: | VPUBHDNOALUVRW-UHFFFAOYSA-N |