| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 20 | Yes |
Popular Name: 2-{[5-(trifluoromethyl)-2-pyridinyl]sulfanyl}benzenecarboxylic acid 2-{[5-(trifluoromethyl)-2-pyridi…
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CAS Number: 478080-58-9
| 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) | 3.59 | 7.35 | -52.57 | 0 | 3 | -1 | 53 | 298.265 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.59 | 7.59 | -39.35 | 1 | 3 | 0 | 54 | 299.273 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 167 - 169 | KeyOrganics |
