In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2010 | 16 | Yes |
Popular Name: 2-oxo-6-(propan-2-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile 2-oxo-6-(propan-2-yl)-1,2,5,6,7,…
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CAS Number: 1267469-16-8
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) | 3.19 | 5.97 | -14.16 | 1 | 3 | 0 | 57 | 216.284 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.65 | 4.03 | -45.51 | 0 | 3 | -1 | 60 | 215.276 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |