ammonium--3,5-dinitro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoate (1/1)
Chemical Structure Depiction of
ammonium--3,5-dinitro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoate (1/1)
ammonium--3,5-dinitro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoate (1/1)
Compound characteristics
| Compound ID: | 8011-5680 |
| Compound Name: | ammonium--3,5-dinitro-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoate (1/1) |
| Molecular Weight: | 457.36 |
| Molecular Formula: | C18 H14 F3 N4 O6 |
| Salt: | NH4+ |
| Smiles: | C1CN(CCN1c1cccc(c1)C(F)(F)F)c1c(cc(cc1[N+]([O-])=O)C([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7755 |
| logD: | 4.7755 |
| logSw: | -4.6634 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 100.919 |
| InChI Key: | JQFSFVJAWLRQIF-UHFFFAOYSA-M |