4-(3-acetylanilino)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-(3-acetylanilino)-3-nitrobenzoic acid
4-(3-acetylanilino)-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-0478 |
| Compound Name: | 4-(3-acetylanilino)-3-nitrobenzoic acid |
| Molecular Weight: | 300.27 |
| Molecular Formula: | C15 H12 N2 O5 |
| Smiles: | CC(c1cccc(c1)Nc1ccc(cc1[N+]([O-])=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7228 |
| logD: | 0.9032 |
| logSw: | -4.0549 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.769 |
| InChI Key: | SRTULMVWKQAITG-UHFFFAOYSA-N |