| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2010 | 11 | Yes |
Popular Name: 3-Methylhexyl acetate 3-Methylhexyl acetate
Find On: PubMed — Wikipedia — Google
CAS Number: 50373-54-1
| 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) | 2.84 | 6.59 | -4.78 | 0 | 2 | 0 | 26 | 158.241 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 184 | TCI |
No pre-computed analogs available. Try a structural similarity search.