3,5-dinitro-2-[4-(4-nitrophenyl)piperazin-1-yl]benzoic acid--acetic acid (1/1)
Chemical Structure Depiction of
3,5-dinitro-2-[4-(4-nitrophenyl)piperazin-1-yl]benzoic acid--acetic acid (1/1)
3,5-dinitro-2-[4-(4-nitrophenyl)piperazin-1-yl]benzoic acid--acetic acid (1/1)
Compound characteristics
| Compound ID: | 8008-8748 |
| Compound Name: | 3,5-dinitro-2-[4-(4-nitrophenyl)piperazin-1-yl]benzoic acid--acetic acid (1/1) |
| Molecular Weight: | 477.39 |
| Molecular Formula: | C17 H15 N5 O8 |
| Salt: | CH3COOH |
| Smiles: | C1CN(CCN1c1ccc(cc1)[N+]([O-])=O)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5573 |
| logD: | -0.0467 |
| logSw: | -3.9031 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 134.601 |
| InChI Key: | IWGHILOSIHAGFL-UHFFFAOYSA-N |