| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2006 | 19 | Yes |
Popular Name: 2-({4-ethyl-5-[(E)-2-phenylethenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetonitrile 2-({4-ethyl-5-[(E)-2-phenylethen…
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CAS Number: 478065-57-5
| 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) | 3.02 | 3.15 | -10.98 | 0 | 4 | 0 | 54 | 270.361 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 170 - 172 | KeyOrganics |
