(E)-3-(2-chloro-6-fluorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one
Formula:C22H22N2OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one |
| MolecularFormula | C22H22N2OClF |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C22H22ClFN2O/c23-20-9-4-10-21(24)19(20)11-12-22(27)26-16-14-25(15-17-26)13-5-8-18-6-2-1-3-7-18/h1-12H,13-17H2 |
| InChIK | NXWVXSMTKSKOET-UHFFFAOYSA-N |
| TotalMolweight | 384.881 |
| Molweight | 384.881 |
| MonoisotopicMass | 384.140468 |
| CLogP | 4.6586 |
| CLogS | -4.088 |
| H Acceptors | 3 |
| TotalSurfaceArea | 301.44 |
| Relative PSA | 0.066813 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 5.3962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (E)-3-(2-chloro-6-fluorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one | 2 - (E)-3-(2-chloro-6-fluorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]prop-2-en-1-one
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