| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 18th, 2009 | 14 | Yes |
Popular Name: 2-(2-ethyl-1H-1,3-benzodiazol-1-yl)acetonitrile 2-(2-ethyl-1H-1,3-benzodiazol-1-…
Find On: PubMed — Wikipedia — Google
CAS Number: 54980-88-0
| 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) | 1.94 | 6.91 | -13.54 | 0 | 3 | 0 | 42 | 185.23 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 7.32 | -35.84 | 1 | 3 | 1 | 43 | 186.238 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 104 - 106 | Enamine Building Blocks |
| MP | 104...106 | Enamine Building Blocks |
| MP | 111 - 113 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
