| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 15 | Yes |
Popular Name: 2-[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]acetonitrile 2-[2-(propan-2-yl)-1H-1,3-benzod…
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CAS Number: 1176031-20-1
| 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) | 2.43 | 7.33 | -13.39 | 0 | 3 | 0 | 42 | 199.257 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.43 | 7.78 | -34.5 | 1 | 3 | 1 | 43 | 200.265 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 116 - 118 | Enamine Building Blocks |
| MP | 116...118 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
