1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid
Chemical Structure Depiction of
1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid
1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid
Compound characteristics
| Compound ID: | 8019-4729 |
| Compound Name: | 1,3-dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid |
| Molecular Weight: | 251.2 |
| Molecular Formula: | C10 H9 N3 O5 |
| Smiles: | CN1C(N(C)c2cc(c(cc12)C(O)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.943 |
| logD: | -2.4533 |
| logSw: | -1.6234 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.412 |
| InChI Key: | WGKLSOFTFJEFIU-UHFFFAOYSA-N |