| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 19 | Yes |
Popular Name: 2,5-dichloro-4-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzenesulfonic acid dihydrate 2,5-dichloro-4-(5-hydroxy-3-meth…
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CAS Numbers: 108469-42-7 , 306935-68-2 , 84-57-1 , [84-57-1]
1-(2',5'-Dichloro-4'-sulfophenyl)-3-methyl-5-pyrazolone
1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone
1-(2,5-Dichloro-4-sulfophenyl)-3-Methyl-5-pyrazolone Monohydrate
1-(2,5-Dichloro-4-sulfophenyl)-3-Methyl-5-pyrazoloneMonohydrate
| 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) | -0.04 | 2.36 | -48.04 | 1 | 6 | -1 | 95 | 322.149 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0765918A3; EP0765918B1; EP0765965A2; US5810890 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.