| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 15 | Yes |
Popular Name: 2-amino-2-(1-phenyl-1H-pyrazol-4-yl)acetonitrile 2-amino-2-(1-phenyl-1H-pyrazol-4…
Find On: PubMed — Wikipedia — Google
CAS Number: 1052564-62-1
| 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) | -1.14 | 3.67 | -12.32 | 2 | 4 | 0 | 68 | 198.229 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -1.14 | 4.01 | -62.23 | 3 | 4 | 1 | 69 | 199.237 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| MP | 98 - 100 | Enamine Building Blocks |
| MP | 98...100 | Enamine Building Blocks |
