| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 20 | Yes |
Popular Name: 4-{2-[(1,3-benzodioxol-5-ylmethyl)amino]ethyl}phenol 4-{2-[(1,3-benzodioxol-5-ylmethy…
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CAS Number: 56114-14-8
| 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) | 2.71 | -2.49 | -54.2 | 3 | 4 | 1 | 55 | 272.324 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 121 | MolMall (formerly Molecular Diversity Preservation International) |
