| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 21 | Yes |
Popular Name: 4-methoxy-2-[3-(trifluoromethyl)phenoxy]nicotinonitrile 4-methoxy-2-[3-(trifluoromethyl)…
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CAS Number: 338956-34-6
| 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) | 3.35 | 3.78 | -12.12 | 0 | 4 | 0 | 55 | 294.232 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.35 | 4.36 | -44.46 | 1 | 4 | 1 | 56 | 295.24 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 103 - 105 | KeyOrganics |
