4-(4-benzylpiperazin-1-yl)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-(4-benzylpiperazin-1-yl)-3-nitrobenzoic acid
4-(4-benzylpiperazin-1-yl)-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-0012 |
| Compound Name: | 4-(4-benzylpiperazin-1-yl)-3-nitrobenzoic acid |
| Molecular Weight: | 341.36 |
| Molecular Formula: | C18 H19 N3 O4 |
| Smiles: | C1CN(CCN1Cc1ccccc1)c1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1107 |
| logD: | 0.2911 |
| logSw: | -3.5022 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.419 |
| InChI Key: | REFSVKKOJWQTOU-UHFFFAOYSA-N |