| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2009 | 19 | No |
Popular Name: tert-butyl 2-cyano-2-(5-nitropyridin-2-yl)acetate tert-butyl 2-cyano-2-(5-nitropyr…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1255574-90-3 , 914223-27-1 , [914223-27-1]
| 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) | 1.06 | 6.89 | -7.78 | 0 | 7 | 0 | 109 | 263.253 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 167 - 169 | Enamine Building Blocks |
| MP | 168 - 170 | Enamine Building Blocks |
| MP | 168...170 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.