(E)-1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
Formula:C19H17N2OCl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one |
| MolecularFormula | C19H17N2OCl2F |
| Smiles | O=C(/C=C/N(CC1)CCN1c(cc1)ccc1F)c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C19H17Cl2FN2O/c20-14-1-6-17(18(21)13-14)19(25)7-8-23-9-11-24(12-10-23)16-4-2-15(22)3-5-16/h1-8,13H,9-12H2 |
| InChIK | QNKRSVCEMCQMOM-UHFFFAOYSA-N |
| TotalMolweight | 379.261 |
| Molweight | 379.261 |
| MonoisotopicMass | 378.070195 |
| CLogP | 3.9187 |
| CLogS | -5.117 |
| H Acceptors | 3 |
| TotalSurfaceArea | 276.6 |
| Relative PSA | 0.072813 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 3.8593 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one | 2 - (E)-1-(2,4-dichlorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off