| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 20 | Yes |
Popular Name: 2-[(4-methylphenyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile 2-[(4-methylphenyl)sulfanyl]-5,6…
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CAS Number: 860786-03-4
| 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) | 4.72 | 1.63 | -6.97 | 0 | 2 | 0 | 36 | 280.396 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 4.72 | 1.73 | -27.4 | 1 | 2 | 1 | 37 | 281.404 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 91 - 93 | KeyOrganics |
