3-nitro-4-(3,4,5-trimethoxyanilino)benzoic acid
Chemical Structure Depiction of
3-nitro-4-(3,4,5-trimethoxyanilino)benzoic acid
3-nitro-4-(3,4,5-trimethoxyanilino)benzoic acid
Compound characteristics
| Compound ID: | K781-0473 |
| Compound Name: | 3-nitro-4-(3,4,5-trimethoxyanilino)benzoic acid |
| Molecular Weight: | 348.31 |
| Molecular Formula: | C16 H16 N2 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)Nc1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3625 |
| logD: | 0.5429 |
| logSw: | -3.7857 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.92 |
| InChI Key: | QJEAXDRTHZEVPR-UHFFFAOYSA-N |