| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 19 | No |
Popular Name: 4-[(E)-salicylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiolate 4-[(E)-salicylideneamino]-5-(tri…
| 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) | 2.55 | 5.56 | -44.92 | 1 | 5 | -1 | 63 | 287.246 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 6.27 | -104.15 | 0 | 5 | -2 | 66 | 286.238 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.55 | 5.84 | -27.55 | 2 | 5 | 0 | 65 | 288.254 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 155 | MolMall (formerly Molecular Diversity Preservation International) |
