| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 15 | No |
Popular Name: 1-(1,3-benzodioxol-5-yl)butane-1,3-dione 1-(1,3-benzodioxol-5-yl)butane-1…
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CAS Number: 56221-42-2
| 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) | 1.17 | 5.86 | -20.32 | 0 | 4 | 0 | 53 | 206.197 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.91 | 5.8 | -45.78 | 0 | 4 | -1 | 59 | 205.189 | 2 | ↓ |
