| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2005 | 24 | Yes |
Popular Name: 6-(4-chlorophenyl)-2-(2,4-difluorophenoxy)nicotinonitrile 6-(4-chlorophenyl)-2-(2,4-difluo…
Find On: PubMed — Wikipedia — Google
CAS Number: 252059-13-5
| 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) | 5.32 | 4.29 | -11.2 | 0 | 3 | 0 | 45 | 342.732 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 5.32 | 4.42 | -41.95 | 1 | 3 | 1 | 47 | 343.74 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 186 - 188 | KeyOrganics |
