| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 27th, 2006 | 19 | No |
Popular Name: 3-(tert-butyl)-1-(4-nitrophenyl)-2-pyrazolin-5-one 3-(tert-butyl)-1-(4-nitrophenyl)…
Find On: PubMed — Wikipedia — Google
CAS Number: 88351-68-2
| 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) | 3.06 | 7.81 | -9.22 | 0 | 6 | 0 | 78 | 261.281 | 3 | ↓ |
| Ref Reference (pH 7) | 3.01 | 7.45 | -12.71 | 1 | 6 | 0 | 84 | 261.281 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.47 | 5.61 | -7.42 | 1 | 6 | 0 | 84 | 261.281 | 3 | ↓ |
