| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 21 | Yes |
Popular Name: N-(4-(methylpropyl)phenyl)-2-(2-pyridylthio)ethanamide, 95% N-(4-(methylpropyl)phenyl)-2-(2-…
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CAS Number: 256955-15-4
| 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) | 4.29 | -0.14 | -9.82 | 1 | 3 | 0 | 41 | 300.427 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.29 | 0 | -40.2 | 2 | 3 | 1 | 43 | 301.435 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 90 - 91 | KeyOrganics |
