| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 15 | Yes |
Popular Name: 1-[4-(pyridin-4-yl)phenyl]ethan-1-one 1-[4-(pyridin-4-yl)phenyl]ethan-…
Find On: PubMed — Wikipedia — Google
CAS Number: 70581-00-9
| 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) | 2.34 | 6.53 | -9.5 | 0 | 2 | 0 | 30 | 197.237 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.34 | 6.97 | -43.43 | 1 | 2 | 1 | 31 | 198.245 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 93 - 95 | Enamine Building Blocks |
| MP | 93...95 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
