| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2006 | 16 | Yes |
Popular Name: 2H-1-Benzopyran-2-one, 3-acetyl-5,7-dihydroxy- (9CI) 2H-1-Benzopyran-2-one, 3-acetyl-…
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CAS Number: 810676-37-0
| 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) | 1.05 | 0.69 | -10.48 | 2 | 5 | 0 | 88 | 220.18 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 1.48 | -35.84 | 1 | 5 | -1 | 91 | 219.172 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.05 | 1.48 | -35.3 | 1 | 5 | -1 | 91 | 219.172 | 1 | ↓ |
