| MolName | (E)-1-(4-fluorophenyl)-3-[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]piperazin-1-yl]prop-2-en-1-one |
| MolecularFormula | C22H20N2O2F2 |
| Smiles | O=C(/C=C/N(CC1)CCN1/C=C/C(c(cc1)ccc1F)=O)c(cc1)ccc1F |
| InChI | InChI=1S/C22H20F2N2O2/c23-19-5-1-17(2-6-19)21(27)9-11-25-13-15-26(16-14-25)12-10-22(28)18-3-7-20(24)8-4-18/h1-12H,13-16H2 |
| InChIK | KOFSQBNCKQROBO-UHFFFAOYSA-N |
| TotalMolweight | 382.409 |
| Molweight | 382.409 |
| MonoisotopicMass | 382.149284 |
| CLogP | 2.4802 |
| CLogS | -4.224 |
| H Acceptors | 4 |
| TotalSurfaceArea | 296.36 |
| Relative PSA | 0.11196 |
| PolarSurfaceArea | 40.62 |
| Druglikeness | 3.8613 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 17 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(4-fluorophenyl)-3-[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]piperazin-1-yl]prop-2-en-1-one | 2 - (E)-1-(4-fluorophenyl)-3-[4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]piperazin-1-yl]prop-2-en-1-one