| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2009 | 32 | No |
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CAS Number: 1025878-53-8
3-(tert-butyl)-1-(4-nitrophenyl)-4-[(Z)-(3,4,5-trimethoxyphenyl)methylidene]-1H-pyrazol-5-one
| 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) | 4.17 | 10.79 | -16.18 | 0 | 9 | 0 | 108 | 439.468 | 7 | ↓ |
