| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2008 | 17 | No |
Popular Name: VALERENIC ACID VALERENIC ACID
Find On: PubMed — Wikipedia — Google
CAS Number: 3569-10-6
(2E)-3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylacrylate; valerenate
| 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) | 3.92 | 8.74 | -50.61 | 0 | 2 | -1 | 40 | 233.331 | 2 | ↓ |
