| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2011 | 10 | No |
Popular Name: 1-Cyclohexene-1-carboxaldehyde, 2-hydroxy-3-methyl- (9CI) 1-Cyclohexene-1-carboxaldehyde, …
Find On: PubMed — Wikipedia — Google
CAS Numbers: 142179-19-9 , 142179-23-5 , 142179-26-8
Cyclohexanone, 2-(hydroxymethylene)-6-methyl-, (E)- (9CI)
| 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) | 0.62 | 3.23 | -40.91 | 0 | 2 | -1 | 40 | 139.174 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.91 | 2.77 | -7.49 | 1 | 2 | 0 | 37 | 140.182 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.