3-(1H-benzimidazol-2-yl)-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(1H-benzimidazol-2-yl)-6-nitro-2H-1-benzopyran-2-one
3-(1H-benzimidazol-2-yl)-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1391-0744 |
| Compound Name: | 3-(1H-benzimidazol-2-yl)-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 307.26 |
| Molecular Formula: | C16 H9 N3 O4 |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.9648 |
| logD: | 2.9648 |
| logSw: | -3.5088 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.561 |
| InChI Key: | NLNDAICIIILZTM-UHFFFAOYSA-N |