| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 17 | Yes |
Popular Name: 4,7-dioxo-7-phenylheptanoic acid 4,7-dioxo-7-phenylheptanoic acid
Find On: PubMed — Wikipedia — Google
CAS Number: 6336-53-4
| 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) | 0.96 | 7.96 | -46.9 | 0 | 4 | -1 | 74 | 233.243 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 0.96 | 5.98 | -9.69 | 1 | 4 | 0 | 71 | 234.251 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | WO2000001692A1 | IBM Patent Data |
