| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 17th, 2004 | 22 | Yes |
Popular Name: methyl 4-{[(3,5-dicyano-2-pyridinyl)sulfanyl]methyl}benzenecarboxylate methyl 4-{[(3,5-dicyano-2-pyridi…
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CAS Number: 321430-68-6
| 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) | 2.84 | 4.2 | -12.85 | 0 | 5 | 0 | 86 | 309.35 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 2.84 | 4.34 | -59.64 | 1 | 5 | 1 | 88 | 310.358 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 153 - 155 | KeyOrganics |
