| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 17 | Yes |
Popular Name: ethyl 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetate ethyl 2-(5-phenyl-4H-1,2,4-triaz…
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CAS Number: 866136-08-5
| 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) | 2.03 | 6.57 | -11.48 | 1 | 5 | 0 | 68 | 231.255 | 5 | ↓ |
| Ref Reference (pH 7) | 2.03 | 6.8 | -14.08 | 1 | 5 | 0 | 68 | 231.255 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 81 - 84 | KeyOrganics |
