| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 24th, 2008 | 18 | Yes |
Popular Name: [(3,4-dichlorophenyl)methyl][2-(dimethylamino)-3-methylbutyl]amine [(3,4-dichlorophenyl)methyl][2-(…
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CAS Number: 1036614-61-5
| 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) | 3.92 | 7.98 | -46.17 | 2 | 2 | 1 | 20 | 290.258 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.92 | 8.7 | -37.09 | 2 | 2 | 1 | 16 | 290.258 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.92 | 9.63 | -120.04 | 3 | 2 | 2 | 21 | 291.266 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
