| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 18 | Yes |
Popular Name: (4R,9aR)-4-(2,6-dichlorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (4R,9aR)-4-(2,6-dichlorophenyl)-…
None
| 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) | 4.99 | 10.78 | -22.24 | 1 | 1 | 1 | 4 | 285.238 | 1 | ↓ |
| Hi High (pH 8-9.5) | 4.99 | 9.82 | -1.95 | 0 | 1 | 0 | 3 | 284.23 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0241292A2; US4716172 | IBM Patent Data |
