3-nitro-4-(4-phenylpiperazin-1-yl)benzoic acid
Chemical Structure Depiction of
3-nitro-4-(4-phenylpiperazin-1-yl)benzoic acid
3-nitro-4-(4-phenylpiperazin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | K781-0467 |
| Compound Name: | 3-nitro-4-(4-phenylpiperazin-1-yl)benzoic acid |
| Molecular Weight: | 327.34 |
| Molecular Formula: | C17 H17 N3 O4 |
| Smiles: | C1CN(CCN1c1ccccc1)c1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4296 |
| logD: | 0.61 |
| logSw: | -3.8026 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.139 |
| InChI Key: | RCZJKZNEBXSUKZ-UHFFFAOYSA-N |