2-[(2,6-dimethylphenyl)carbamoyl]-4-nitrobenzoic acid
Chemical Structure Depiction of
2-[(2,6-dimethylphenyl)carbamoyl]-4-nitrobenzoic acid
2-[(2,6-dimethylphenyl)carbamoyl]-4-nitrobenzoic acid
Compound characteristics
| Compound ID: | 8001-0203 |
| Compound Name: | 2-[(2,6-dimethylphenyl)carbamoyl]-4-nitrobenzoic acid |
| Molecular Weight: | 314.3 |
| Molecular Formula: | C16 H14 N2 O5 |
| Smiles: | Cc1cccc(C)c1NC(c1cc(ccc1C(O)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5263 |
| logD: | -2.37 |
| logSw: | -2.7341 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.724 |
| InChI Key: | KOGDWDGNYHBIMW-UHFFFAOYSA-N |