| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2011 | 13 | Yes |
Popular Name: 2-Hydroxy-4-(trifluoromethyl)benzonitrile 2-Hydroxy-4-(trifluoromethyl)ben…
Find On: PubMed — Wikipedia — Google
CAS Number: 81465-88-5
None
| 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) | 2.50 | 3.07 | -6.59 | 1 | 2 | 0 | 44 | 187.12 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.50 | 3.84 | -36.03 | 0 | 2 | -1 | 47 | 186.112 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
