| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2004 | 29 | Yes |
Popular Name: 3-(benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole 3-(benzylsulfanyl)-5-(2,2-dimeth…
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CAS Number: 477850-87-6
| 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) | 4.56 | 3.42 | -11.61 | 0 | 5 | 0 | 49 | 423.46 | 9 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 85 - 87 | KeyOrganics |
