| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 18 | No |
Popular Name: [1-(4-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]acetic acid [1-(4-fluorophenyl)-3-methyl-5-o…
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CAS Number: 1306739-27-4
FLUOROPHENYLHYDROXYMETHYLPYRAZOLYLACETICACI
[1-(4-Fluorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]acetic acid
[2-(4-Fluorophenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]acetic acid
| 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) | 1.56 | 7.14 | -52.55 | 0 | 5 | -1 | 73 | 249.221 | 3 | ↓ |
| Ref Reference (pH 7) | 1.56 | 7.19 | -52.51 | 0 | 5 | -1 | 73 | 249.221 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 5.17 | -119.15 | 0 | 5 | -2 | 81 | 248.213 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.30 | 4.4 | -44.79 | 1 | 5 | -1 | 78 | 249.221 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
