| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 2nd, 2009 | 12 | No |
Popular Name: 2-(1,3-dimethyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)acetic acid hydrochloride 2-(1,3-dimethyl-5-oxo-4,5-dihydr…
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CAS Number: 1423026-22-5
| 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) | -0.30 | 3.66 | -52.9 | 0 | 5 | -1 | 73 | 169.16 | 2 | ↓ |
| Ref Reference (pH 7) | -0.30 | 3.71 | -52.94 | 0 | 5 | -1 | 73 | 169.16 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.13 | 0.72 | -46.02 | 1 | 5 | -1 | 78 | 169.16 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 129 - 131 | Enamine Building Blocks |
| MP | 129...131 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
