| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 13 | Yes |
Popular Name: 6-chloroquinoline-2,4(1H,3H)-dione 6-chloroquinoline-2,4(1H,3H)-dione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 138964-52-0 , 1677-36-7
| 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) | 1.38 | 3.34 | -8.34 | 1 | 3 | 0 | 46 | 195.605 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 2.14 | -43.14 | 1 | 3 | -1 | 56 | 194.597 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0295797A2; EP0295797B1; EP0295815A2; US4814444 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.