| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 11 | No |
Popular Name: 2-isobutyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one 2-isobutyl-5-methyl-2,4-dihydro-…
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CAS Number: 401465-31-4
| 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) | 1.21 | 3.87 | -7.98 | 0 | 3 | 0 | 33 | 154.213 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.64 | 1.95 | -5.59 | 1 | 3 | 0 | 38 | 154.213 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 124 - 126 | Enamine Building Blocks |
| MP | 124...126 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
