| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2009 | 12 | Yes |
Popular Name: 4-amino-2-(trifluoromethyl)phenol 4-amino-2-(trifluoromethyl)phenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1535-76-8 , [1535-76-8]
| 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) | 1.83 | 0.8 | -5.56 | 3 | 2 | 0 | 46 | 177.125 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.83 | 1.32 | -43.81 | 2 | 2 | -1 | 49 | 176.117 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.