| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 25 | Yes |
Popular Name: 1-[3,5-bis(trifluoromethyl)benzyl]-2-oxo-1,2-dihydro-3-pyridinecarboxylic acid 1-[3,5-bis(trifluoromethyl)benzy…
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CAS Numbers: 338781-55-8 , 71422-80-5
1-[3,5-bis(trifluoromethyl)benzyl]-2-oxo-1,2-dihydro-3-pyridinecarboxylicacid
1-[3,5-Bis(trifluoromethyl)benzyl]pyrid-2-one-3-carboxylic acid 97%
| 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) | 3.16 | 6.02 | -75.57 | 0 | 4 | -1 | 62 | 364.221 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 168 - 169 | KeyOrganics |
| MP | 168-169° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.