| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 24 | Yes |
Popular Name: methyl 2-[(4-cyano-1-phenyl-5,6,7,8-tetrahydro-3-isoquinolinyl)sulfanyl]acetate methyl 2-[(4-cyano-1-phenyl-5,6,…
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CAS Number: 861212-86-4
| 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) | 4.21 | 10.68 | -9.71 | 0 | 4 | 0 | 63 | 338.432 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 132 - 134 | KeyOrganics |
