| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2006 | 20 | No |
Popular Name: 5-[3-(2,4-Dichlorophenoxy)propyl]-4-ethyl-4H-1,2,4-triazole-3-thiol 5-[3-(2,4-Dichlorophenoxy)propyl…
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CAS Numbers: , 792941-64-1
5-[3-(2,4-Dichloro-phenoxy)-propyl]-4-ethyl-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) | 4.07 | 9.87 | -49.53 | 0 | 4 | -1 | 40 | 331.248 | 6 | ↓ |
| Mid Mid (pH 6-8) | 3.34 | 10.11 | -17.92 | 1 | 4 | 0 | 43 | 332.256 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
