| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2010 | 12 | No |
Popular Name: 2(1H)-Pentalenone, 5-acetyl-3,3a,4,6a-tetrahydro- (9CI) 2(1H)-Pentalenone, 5-acetyl-3,3a…
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CAS Numbers: 112835-91-3 , 606490-97-5
| 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) | 0.76 | 5.43 | -9.04 | 0 | 2 | 0 | 34 | 164.204 | 1 | ↓ |
