| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2008 | 16 | No |
Popular Name: 4-(4-Trifluoromethyl-phenyl)-4H-[1,2,4]triazole-3-thiol 4-(4-Trifluoromethyl-phenyl)-4H-…
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CAS Number: 5373-72-8
| 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) | 2.34 | 8.5 | -41.84 | 0 | 3 | -1 | 31 | 244.221 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.62 | 8.53 | -12.52 | 1 | 3 | 0 | 34 | 245.229 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.