(E)-3-(2,4-dichlorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
Formula:C20H19NOCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,4-dichlorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one |
| MolecularFormula | C20H19NOCl2 |
| Smiles | O=C(/C=C/c(ccc(Cl)c1)c1Cl)c(cc1)ccc1N1CCCCC1 |
| InChI | InChI=1S/C20H19Cl2NO/c21-17-8-4-15(19(22)14-17)7-11-20(24)16-5-9-18(10-6-16)23-12-2-1-3-13-23/h4-11,14H,1-3,12-13H2 |
| InChIK | VCMSBKSIKBURFU-UHFFFAOYSA-N |
| TotalMolweight | 360.283 |
| Molweight | 360.283 |
| MonoisotopicMass | 359.084368 |
| CLogP | 5.3488 |
| CLogS | -6.304 |
| H Acceptors | 2 |
| TotalSurfaceArea | 273.71 |
| Relative PSA | 0.060612 |
| PolarSurfaceArea | 20.31 |
| Druglikeness | 1.4767 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(2,4-dichlorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one | 2 - (E)-3-(2,4-dichlorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off