In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 21st, 2006 | 15 | Yes |
Popular Name: Quinoline, 1-(cyanoacetyl)-1,2,3,4-tetrahydro- (9CI) Quinoline, 1-(cyanoacetyl)-1,2,3…
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CAS Number: 544453-01-2
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) | 0.66 | 6.59 | -18.18 | 0 | 3 | 0 | 44 | 200.241 | 1 | ↓ |