| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2006 | 12 | Yes |
Popular Name: 2-Cyclohexene-1,4-dione, 2-methyl-5-(1-methylethyl)-, (S)- (9CI) 2-Cyclohexene-1,4-dione, 2-methy…
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CAS Number: 143437-65-4
| 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) | 2.10 | 5.26 | -5.23 | 0 | 2 | 0 | 34 | 166.22 | 1 | ↓ |
| Ref Reference (pH 7) | 3.26 | 1.54 | -4.63 | 2 | 2 | 0 | 40 | 166.22 | 1 | ↓ |
