| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 16 | Yes |
Popular Name: 1-amino-3-[4-(trifluoromethyl)phenoxy]propan-2-ol 1-amino-3-[4-(trifluoromethyl)ph…
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CAS Number: 858619-53-1
| 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) | 1.05 | 0.89 | -49.78 | 4 | 3 | 1 | 57 | 236.213 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 0.52 | -6.17 | 3 | 3 | 0 | 55 | 235.205 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| MP | 98 - 100 | Enamine Building Blocks |
| MP | 98...100 | Enamine Building Blocks |
