| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 18th, 2010 | 19 | Yes |
Popular Name: 4-(2-hydroxyethyl)-1-(4-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid 4-(2-hydroxyethyl)-1-(4-methylph…
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CAS Number: 1223267-19-3
| 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) | 0.84 | 3.6 | -42.05 | 2 | 6 | -1 | 98 | 261.257 | 4 | ↓ |
| Ref Reference (pH 7) | 0.84 | 3.63 | -42.69 | 1 | 6 | -1 | 93 | 261.257 | 4 | ↓ |
| Ref Reference (pH 7) | 0.84 | 3.6 | -42.64 | 1 | 6 | -1 | 93 | 261.257 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.30 | 2.38 | -117.88 | 1 | 6 | -2 | 101 | 260.249 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 199 - 201 | Enamine Building Blocks |
| MP | 199...201 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
