| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2008 | 17 | Yes |
Popular Name: 2-{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid 2-{[5-(4-methylphenyl)-4H-1,2,4-…
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CAS Number: 132895-42-2
(5-p-Tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
{[5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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) | 2.12 | 7.1 | -42.47 | 1 | 5 | -1 | 82 | 248.287 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.12 | 6 | -104.84 | 0 | 5 | -2 | 80 | 247.279 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
