| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 14 | No |
Popular Name: 4-N-Heptylphenol 4-N-Heptylphenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1987-50-4 , [1987-50-4]
| 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) | 4.84 | 0.31 | -3.3 | 1 | 1 | 0 | 20 | 192.302 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.14e-02 g/l | DrugBank-experimental |
| Boiling_Point | 156?/9mm | Alfa-Aesar |
| Boiling_Point | 156°/9mm | Alfa-Aesar |
| Melting_Point | 25-28? | Alfa-Aesar |
| Melting_Point | 25-28° | Alfa-Aesar |
| PUBCHEM_PATENT_ID | US5610294; WO1993007128A1 | IBM Patent Data |
