| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 17 | Yes |
Popular Name: 6-tert-butyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile 6-tert-butyl-2-oxo-1,2,5,6,7,8-h…
Find On: PubMed — Wikipedia — Google
CAS Number: 1268129-76-5
| 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) | 3.02 | 6.27 | -14.12 | 1 | 3 | 0 | 57 | 230.311 | 1 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 4.34 | -45.44 | 0 | 3 | -1 | 60 | 229.303 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
