| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 13 | No |
Popular Name: (Z,E)-2-(Hydroxyimino)-2-(4-methoxyphenyl)acetonitrile (Z,E)-2-(Hydroxyimino)-2-(4-meth…
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CAS Number: 76104-14-8
| 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) | 1.37 | 1.79 | -6.03 | 1 | 4 | 0 | 66 | 176.175 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 2.81 | -38.31 | 0 | 4 | -1 | 68 | 175.167 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 2.78 | -43.97 | 0 | 4 | -1 | 68 | 175.167 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.