4-(butylamino)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-(butylamino)-3-nitrobenzoic acid
4-(butylamino)-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-0455 |
| Compound Name: | 4-(butylamino)-3-nitrobenzoic acid |
| Molecular Weight: | 238.24 |
| Molecular Formula: | C11 H14 N2 O4 |
| Smiles: | CCCCNc1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3064 |
| logD: | 0.4868 |
| logSw: | -3.5801 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.377 |
| InChI Key: | PATRMRVHZVOHEB-UHFFFAOYSA-N |