| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 18th, 2008 | 19 | No |
Popular Name: (4Z)-4-[(4-chlorophenyl)hydrazono]-5-(trifluoromethyl)-2H-pyrazol-3-one (4Z)-4-[(4-chlorophenyl)hydrazon…
None
| 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) | 3.43 | 1.72 | -36.79 | 1 | 5 | -1 | 73 | 289.624 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.16 | 1.18 | -113.56 | 0 | 5 | -2 | 75 | 288.616 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.97 | 3.35 | -4.36 | 2 | 5 | 0 | 70 | 290.632 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.16 | 0.5 | -6.61 | 2 | 5 | 0 | 74 | 290.632 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.70 | 3.21 | -13.27 | 2 | 5 | 0 | 73 | 290.632 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 214 | MolMall (formerly Molecular Diversity Preservation International) |
No pre-computed analogs available. Try a structural similarity search.
