| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 31st, 2009 | 25 | No |
Popular Name: (2-Butyl-5-nitrobenzofuran-3-yl)(4-hydroxyphenyl)methanone (2-Butyl-5-nitrobenzofuran-3-yl)…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 141645-16-1 , [141645-16-1]
2-Butyl-3-(4-hydroxybenzoyl)-5-nitrobenzofuran
Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-hydroxyphenyl)-
| 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) | 4.96 | 9.37 | -10.9 | 1 | 6 | 0 | 96 | 339.347 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.80 | 4.01 | -8.19 | 0 | 2 | 0 | 29 | 197.303 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.96 | 10.14 | -46.02 | 0 | 6 | -1 | 99 | 338.339 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
