(E)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
Formula:C20H18N2O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one |
| MolecularFormula | C20H18N2O2ClF3 |
| Smiles | O=C(/C=C/c(cc1)ccc1OC(F)(F)F)N(CC1)CCN1c1cccc(Cl)c1 |
| InChI | InChI=1S/C20H18ClF3N2O2/c21-16-2-1-3-17(14-16)25-10-12-26(13-11-25)19(27)9-6-15-4-7-18(8-5-15)28-20(22,23)24/h1-9,14H,10-13H2 |
| InChIK | LMTULFQXOAATFZ-UHFFFAOYSA-N |
| TotalMolweight | 410.822 |
| Molweight | 410.822 |
| MonoisotopicMass | 410.100889 |
| CLogP | 4.9727 |
| CLogS | -4.802 |
| H Acceptors | 4 |
| TotalSurfaceArea | 294.29 |
| Relative PSA | 0.10242 |
| PolarSurfaceArea | 32.78 |
| Druglikeness | -2.5998 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (E)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one | 2 - (E)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
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