In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2006 | 8 | No |
Popular Name: 3-Buten-2-one, 4-cyclopropyl- (9CI) 3-Buten-2-one, 4-cyclopropyl- (9CI)
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CAS Numbers: 105891-18-7 , 54139-51-4 , 79012-52-5
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) | 0.77 | 5.13 | -6.26 | 0 | 1 | 0 | 17 | 110.156 | 2 | ↓ |