(E)-3-(4-chloro-2-fluoroanilino)-1-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-en-1-one
Formula:C22H16NO2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chloro-2-fluoroanilino)-1-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-chloro-2-fluoroanilino)-1-[2-[(4-chlorophenyl)methoxy]phenyl]prop-2-en-1-one |
| MolecularFormula | C22H16NO2Cl2F |
| Smiles | O=C(/C=C/Nc(ccc(Cl)c1)c1F)c(cccc1)c1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C22H16Cl2FNO2/c23-16-7-5-15(6-8-16)14-28-22-4-2-1-3-18(22)21(27)11-12-26-20-10-9-17(24)13-19(20)25/h1-13,26H,14H2 |
| InChIK | QHNCOTYHMHVUKA-UHFFFAOYSA-N |
| TotalMolweight | 416.278 |
| Molweight | 416.278 |
| MonoisotopicMass | 415.054211 |
| CLogP | 5.1354 |
| CLogS | -6.913 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 309.44 |
| Relative PSA | 0.11149 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -0.93876 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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