| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2004 | 17 | No |
Popular Name: 3-Thioxo-1-trifluoromethyl-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile 3-Thioxo-1-trifluoromethyl-2,3,5…
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CAS Number: 326616-08-4
3-thioxo-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile
| 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) | 2.88 | 1.51 | -15.24 | 1 | 2 | 0 | 39 | 258.268 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.