| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2009 | 16 | No |
Popular Name: 2-(3-Bromophenyl)-4,4,4-trifluoro-3-oxobutanenitrile 2-(3-Bromophenyl)-4,4,4-trifluor…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 954238-40-5 , [954238-40-5]
| 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) | 3.05 | 7.02 | -9.67 | 0 | 2 | 0 | 41 | 292.054 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.33 | 5.76 | -30.11 | 0 | 2 | -1 | 47 | 291.046 | 2 | ↓ |
