4-[benzyl(methyl)amino]-3-nitrobenzoic acid
Chemical Structure Depiction of
4-[benzyl(methyl)amino]-3-nitrobenzoic acid
4-[benzyl(methyl)amino]-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-0942 |
| Compound Name: | 4-[benzyl(methyl)amino]-3-nitrobenzoic acid |
| Molecular Weight: | 286.28 |
| Molecular Formula: | C15 H14 N2 O4 |
| Smiles: | CN(Cc1ccccc1)c1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3391 |
| logD: | 0.5194 |
| logSw: | -3.7445 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.381 |
| InChI Key: | WAWOVJXYAOQHQL-UHFFFAOYSA-N |