| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2004 | 25 | Yes |
Popular Name: methyl 2-{[4-cyano-1-(4-methylphenyl)-5,6,7,8-tetrahydro-3-isoquinolinyl]sulfanyl}acetate methyl 2-{[4-cyano-1-(4-methylph…
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CAS Number: 861209-23-6
| 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) | 4.66 | 11.36 | -9.59 | 0 | 4 | 0 | 63 | 352.459 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 140 - 142 | KeyOrganics |
