| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2007 | 19 | Yes |
Popular Name: 3-hydroxy-1-phenyl-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile 3-hydroxy-1-phenyl-5,6,7,8-tetra…
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CAS Number: 53661-29-3
| 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) | 3.07 | 7.38 | -13.15 | 1 | 3 | 0 | 57 | 250.301 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 5.46 | -50.83 | 0 | 3 | -1 | 60 | 249.293 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 325 | KeyOrganics |
