4-[(2-methylpropyl)amino]-3-nitrobenzoic acid
Chemical Structure Depiction of
4-[(2-methylpropyl)amino]-3-nitrobenzoic acid
4-[(2-methylpropyl)amino]-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-0360 |
| Compound Name: | 4-[(2-methylpropyl)amino]-3-nitrobenzoic acid |
| Molecular Weight: | 238.24 |
| Molecular Formula: | C11 H14 N2 O4 |
| Smiles: | CC(C)CNc1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9916 |
| logD: | 0.172 |
| logSw: | -3.3525 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.535 |
| InChI Key: | DJQWTRGDTHEWOP-UHFFFAOYSA-N |