| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2006 | 16 | Yes |
5-Phenyl-4H-[1,2,4]triazole-3-carboxylic acid ethyl ester
5-Phenyl-triazole-3-carboxylic acid ethyl ester
| 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) | 1.82 | 5.92 | -43.33 | 0 | 5 | -1 | 66 | 216.22 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.82 | 6.33 | -9.4 | 1 | 5 | 0 | 68 | 217.228 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 6.1 | -10.6 | 1 | 5 | 0 | 68 | 217.228 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 165 - 166 | KeyOrganics |
| Warnings | IRRITANT | Matrix Scientific |
