4-{[(3-chlorophenyl)methyl]amino}-3-nitrobenzoic acid
Chemical Structure Depiction of
4-{[(3-chlorophenyl)methyl]amino}-3-nitrobenzoic acid
4-{[(3-chlorophenyl)methyl]amino}-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-0422 |
| Compound Name: | 4-{[(3-chlorophenyl)methyl]amino}-3-nitrobenzoic acid |
| Molecular Weight: | 306.7 |
| Molecular Formula: | C14 H11 Cl N2 O4 |
| Smiles: | C(c1cccc(c1)[Cl])Nc1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9054 |
| logD: | 1.0858 |
| logSw: | -4.2216 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.264 |
| InChI Key: | UYROYEUNEGHWHI-UHFFFAOYSA-N |