| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 15 | No |
Popular Name: [(3-chloro-4-fluorophenyl)methyl][3-(methylsulfanyl)propyl]amine [(3-chloro-4-fluorophenyl)methyl…
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CAS Number: 1250832-99-5
| 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) | 3.06 | 7.8 | -51.45 | 2 | 1 | 1 | 17 | 248.774 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.06 | 6.45 | -5.05 | 1 | 1 | 0 | 12 | 247.766 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
