| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2005 | 25 | Yes |
Popular Name: 6-phenyl-2-[3-(trifluoromethyl)phenoxy]nicotinonitrile 6-phenyl-2-[3-(trifluoromethyl)p…
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CAS Number: 252058-99-4
| 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) | 5.26 | 4.26 | -10.55 | 0 | 3 | 0 | 45 | 340.304 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 5.26 | 4.79 | -37.32 | 1 | 3 | 1 | 47 | 341.312 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 141 - 143 | KeyOrganics |
