| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 28th, 2008 | 22 | No |
Popular Name: (2Z)-2-(4-tert-Butylbenzylidene)-6-hydroxy-1-benzofuran-3(2H)-one (2Z)-2-(4-tert-Butylbenzylidene)…
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CAS Numbers: , 620545-95-1
3(2H)-benzofuranone, 2-[[4-(1,1-dimethylethyl)phenyl]methylene]-6-hydroxy-, (2Z)-
| 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) | 4.44 | 7.93 | -8.01 | 1 | 3 | 0 | 50 | 294.35 | 2 | ↓ |
| Hi High (pH 8-9.5) | 4.44 | 8.7 | -41.78 | 0 | 3 | -1 | 53 | 293.342 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
