| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2009 | 20 | Yes |
Popular Name: 1-(2H-1,3-benzodioxol-5-yl)-2-(benzylamino)ethan-1-ol 1-(2H-1,3-benzodioxol-5-yl)-2-(b…
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CAS Number: 21784-40-7
| 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) | 2.20 | 3.1 | -7.5 | 2 | 4 | 0 | 51 | 271.316 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.20 | 4.52 | -47.5 | 3 | 4 | 1 | 55 | 272.324 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
