| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2009 | 16 | No |
Popular Name: 4,6-dioxo-6-phenylhexanoic acid 4,6-dioxo-6-phenylhexanoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 114150-57-1 , [114150-57-1]
| 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) | 1.88 | 5.89 | -65.68 | 0 | 4 | 0 | 80 | 218.208 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.88 | 7.53 | -112.1 | 0 | 4 | -2 | 80 | 218.208 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
