| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 22 | No |
Popular Name: 1-[4-nitro-2-(trifluoromethyl)phenyl]-3-piperidinecarboxylic acid 1-[4-nitro-2-(trifluoromethyl)ph…
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CAS Numbers: 1171918-77-6 , N/A
1-(4-Nitro-2-(trifluoromethyl)phenyl)piperidine-3-carboxylic acid
1-[4-nitro-2-(trifluoromethyl)phenyl]-3-piperidinecarboxylicacid
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.84 | 9.64 | -45.12 | 0 | 6 | -1 | 89 | 317.243 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 1.470000000000000e+002 - 1.490000000000000e+002 | KeyOrganics |
| melting_point | 147 - 149 | KeyOrganics |
| MP | 147-149° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.