| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2008 | 13 | Yes |
Popular Name: 4-[(ethylamino)methyl]-3-fluorobenzonitrile 4-[(ethylamino)methyl]-3-fluorob…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1016499-19-6 , 1258652-48-0
| 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) | 1.72 | 5.69 | -45.92 | 2 | 2 | 1 | 40 | 179.218 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.72 | 4.27 | -4.63 | 1 | 2 | 0 | 36 | 178.21 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 249 - 251 | Enamine Building Blocks |
| MP | 249...251 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
