| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2008 | 14 | No |
Popular Name: 1-Phenyl-1,2,3-butanetrione 2-oxime 1-Phenyl-1,2,3-butanetrione 2-oxime
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CAS Number: 6797-44-0
(2Z)-2-(hydroxyimino)-1-phenylbutane-1,3-dione
| 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) | 0.62 | 5.35 | -38.33 | 0 | 4 | -1 | 70 | 190.178 | 3 | ↓ |
| Ref Reference (pH 7) | 0.62 | 3.49 | -49.48 | 0 | 4 | -1 | 70 | 190.178 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.62 | 4.35 | -12.96 | 1 | 4 | 0 | 67 | 191.186 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.62 | 2.46 | -11.91 | 1 | 4 | 0 | 67 | 191.186 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 128-130? | Alfa-Aesar |
| Melting_Point | 128-130° | Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.