| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 22nd, 2011 | 16 | Yes |
Popular Name: ethyl 2-cyano-2-methyl-3-phenylpropanoate ethyl 2-cyano-2-methyl-3-phenylp…
Find On: PubMed — Wikipedia — Google
CAS Number: 104876-35-9
None
| 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) | 2.75 | 8.02 | -7.18 | 0 | 3 | 0 | 50 | 217.268 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.