| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2012 | 12 | No |
Popular Name: 3-PHENYLBUTYRALDEHYDE 3-PHENYLBUTYRALDEHYDE
Find On: PubMed — Wikipedia — Google
CAS Number: 16251-77-7
| 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) | 3.28 | 6.91 | -5.95 | 0 | 1 | 0 | 17 | 162.232 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0279681A2; EP0454330A1; EP0987253A1; EP1021199A1; EP1035125A2; US5162318; US5968967; US6020366; US6150378; WO1998006711A1; WO1999017790A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.