(E)-3-(2-chloro-6-fluorophenyl)-1-[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
Formula:C22H18N2O2Cl2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-chloro-6-fluorophenyl)-1-[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(2-chloro-6-fluorophenyl)-1-[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one |
| MolecularFormula | C22H18N2O2Cl2F2 |
| Smiles | O=C(/C=C/c(c(F)ccc1)c1Cl)N(CC1)CCN1C(/C=C/c(c(F)ccc1)c1Cl)=O |
| InChI | InChI=1S/C22H18Cl2F2N2O2/c23-17-3-1-5-19(25)15(17)7-9-21(29)27-11-13-28(14-12-27)22(30)10-8-16-18(24)4-2-6-20(16)26/h1-10H,11-14H2 |
| InChIK | MIHQQZGVTVBVTJ-UHFFFAOYSA-N |
| TotalMolweight | 451.299 |
| Molweight | 451.299 |
| MonoisotopicMass | 450.071338 |
| CLogP | 5.0158 |
| CLogS | -5.12 |
| H Acceptors | 4 |
| TotalSurfaceArea | 327.2 |
| Relative PSA | 0.10141 |
| PolarSurfaceArea | 40.62 |
| Druglikeness | 4.17 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 16 |
| Amides | 2 |
| StereoCon |
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1 - (E)-3-(2-chloro-6-fluorophenyl)-1-[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one | 2 - (E)-3-(2-chloro-6-fluorophenyl)-1-[4-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
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