3,5-dinitro-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--hydrogen chloride (1/1)
Chemical Structure Depiction of
3,5-dinitro-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--hydrogen chloride (1/1)
3,5-dinitro-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8011-5682 |
| Compound Name: | 3,5-dinitro-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid--hydrogen chloride (1/1) |
| Molecular Weight: | 476.79 |
| Molecular Formula: | C18 H15 F3 N4 O6 |
| Salt: | HCl |
| Smiles: | C1CN(CCN1c1cccc(c1)C(F)(F)F)c1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3108 |
| logD: | 0.7068 |
| logSw: | -4.3744 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.22 |
| InChI Key: | QFOCCWHTDQRFNG-UHFFFAOYSA-N |