| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 13 | Yes |
Popular Name: 2-Hexyl-4-pentynoic Acid 2-Hexyl-4-pentynoic Acid
Find On: PubMed — Wikipedia — Google
CAS Number: 96017-59-3
| 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) | 3.31 | 3.14 | -47.01 | 0 | 2 | -1 | 40 | 181.255 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO1999058513A1; WO2000048982A1 | IBM Patent Data |
