| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 18 | Yes |
Popular Name: Ethyl [5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetate Ethyl [5-(4-chlorophenyl)-4H-1,2…
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CAS Number: 168639-16-5
| 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) | 2.71 | 7.09 | -10.54 | 1 | 5 | 0 | 68 | 265.7 | 5 | ↓ |
| Ref Reference (pH 7) | 2.71 | 7.32 | -12.38 | 1 | 5 | 0 | 68 | 265.7 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 6.95 | -43.64 | 0 | 5 | -1 | 66 | 264.692 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 6.99 | -43.69 | 0 | 5 | -1 | 66 | 264.692 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 130 - 133 | KeyOrganics |
