In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 19th, 2008 | 10 | No |
Popular Name: 3-Hepten-2-one, 5-ethyl-, (3E)- (9CI) 3-Hepten-2-one, 5-ethyl-, (3E)- …
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CAS Number: 147224-13-3
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) | 2.02 | 6.12 | -3.4 | 0 | 1 | 0 | 17 | 140.226 | 4 | ↓ |
Ref Reference (pH 7) | 2.02 | 6.21 | -4.77 | 0 | 1 | 0 | 17 | 140.226 | 4 | ↓ |