| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 22 | Yes |
Popular Name: 1-(4-cyanophenyl)-3-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]urea 1-(4-cyanophenyl)-3-[2,2,2-trifl…
| 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) | 3.48 | 5.06 | -9.94 | 2 | 4 | 0 | 65 | 325.212 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.11 | 3.67 | -28.83 | 1 | 4 | -1 | 71 | 324.204 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 156 | MolMall (formerly Molecular Diversity Preservation International) |
