| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 24 | Yes |
Popular Name: 6-methyl-4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]nicotinonitrile 6-methyl-4-(trifluoromethyl)-2-[…
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CAS Number: 339276-97-0
| 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) | 4.63 | 5.81 | -9.74 | 0 | 3 | 0 | 45 | 346.23 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.63 | 6.35 | -42.62 | 1 | 3 | 1 | 47 | 347.238 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 106 - 107 | KeyOrganics |
