| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 20 | Yes |
Popular Name: ethyl 2-[3-methyl-4-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetate ethyl 2-[3-methyl-4-(4-methylphe…
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CAS Number: 860785-39-3
| 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) | 1.22 | 9.23 | -15.5 | 0 | 6 | 0 | 66 | 275.308 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 84 - 86 | KeyOrganics |
No pre-computed analogs available. Try a structural similarity search.
