| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 23 | Yes |
Popular Name: methyl 2-[(3-cyano-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]benzenecarboxylate methyl 2-[(3-cyano-5,6,7,8-tetra…
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CAS Number: 439095-86-0
| 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) | 4.05 | 2.46 | -12.38 | 0 | 4 | 0 | 62 | 324.405 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 4.05 | 2.59 | -29.96 | 1 | 4 | 1 | 64 | 325.413 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 179 - 180 | KeyOrganics |
