| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 11th, 2011 | 19 | No |
Popular Name: tert-Butyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate tert-Butyl 2-cyano-2-(5-nitropyr…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1255574-90-3 , [1255574-90-3]
| 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) | 2.10 | 7.13 | -11.13 | 1 | 7 | 0 | 112 | 263.253 | 4 | ↓ |
| Ref Reference (pH 7) | 2.10 | 7.46 | -10.66 | 1 | 7 | 0 | 112 | 263.253 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.
