| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: 5-Chloro-6-hydroxybenzo[d]oxazol-2(3H)-one 5-Chloro-6-hydroxybenzo[d]oxazol…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1750-45-4 , [1750-45-4]
| 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) | 2.00 | -2.96 | -41.47 | 1 | 4 | -1 | 69 | 184.558 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.00 | -2.2 | -94.7 | 0 | 4 | -2 | 72 | 183.55 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.54 | 0.44 | -34.83 | 1 | 4 | -1 | 69 | 184.558 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | -0.31 | -7.8 | 2 | 4 | 0 | 66 | 185.566 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP1007034A1; US5886157; US5939530; WO1998044939A1; WO1999008676A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.