| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 20 | Yes |
Popular Name: crepenynic acid crepenynic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 2277-31-8
(9Z)-octadec-9-en-12-ynoate; (Z)-9-octadecen-12-ynoic acid; crepenynate; crepenynic acid
(9Z)-octadec-9-en-12-ynoic acid
9(Z)-Octadecen-12-Ynoic Acid; (Crepenynic)
| 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) | 6.70 | 13.24 | -47.08 | 0 | 2 | -1 | 40 | 277.428 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Patent Database Links | EP1666092; GB2217602 | ChEBI |
| UniProt Database Links | FAD12_CREAL | ChEBI |
