| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 2nd, 2006 | 16 | No |
Popular Name: 5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazole-3-thiol 5-(1,3-Benzodioxol-5-yl)-4-methy…
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CAS Numbers: , 77803-44-2
5-Benzo[1,3]dioxol-5-yl-4-methyl-4H-[1,2,4]triazole-3-thiol
| 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) | 1.45 | 5.29 | -11.6 | 1 | 5 | 0 | 52 | 235.268 | 1 | ↓ |
| Mid Mid (pH 6-8) | 2.18 | 5.39 | -44.01 | 0 | 5 | -1 | 49 | 234.26 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
