| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2010 | 11 | Yes |
Popular Name: 3-Butyn-1-one, 1-(3-pyridinyl)- (9CI) 3-Butyn-1-one, 1-(3-pyridinyl)- …
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CAS Number: 113590-54-8
| 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) | 0.65 | 4.5 | -9.19 | 0 | 2 | 0 | 30 | 145.161 | 2 | ↓ |
