3,5-dinitro-4-(piperazin-1-yl)benzoic acid
Chemical Structure Depiction of
3,5-dinitro-4-(piperazin-1-yl)benzoic acid
3,5-dinitro-4-(piperazin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8020-2387 |
| Compound Name: | 3,5-dinitro-4-(piperazin-1-yl)benzoic acid |
| Molecular Weight: | 332.7 |
| Molecular Formula: | C11 H12 N4 O6 |
| Salt: | HCl |
| Smiles: | C1CN(CCN1)c1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6321 |
| logD: | 1.6321 |
| logSw: | -2.0117 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.619 |
| InChI Key: | PEFYAXQYNAYWLC-UHFFFAOYSA-N |