| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2010 | 11 | Yes |
Popular Name: 2,4,6-Cyclooctatriene-1-carboxylic acid (9CI) 2,4,6-Cyclooctatriene-1-carboxyl…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100162-11-6 , 80749-33-3
| 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) | 1.13 | 5.83 | -41.54 | 0 | 2 | -1 | 40 | 149.169 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.