(E)-3-(4-chloro-2-fluoroanilino)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]prop-2-en-1-one
Formula:C22H15NO2Cl2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-chloro-2-fluoroanilino)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-(4-chloro-2-fluoroanilino)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]prop-2-en-1-one |
| MolecularFormula | C22H15NO2Cl2F2 |
| Smiles | O=C(/C=C/Nc(ccc(Cl)c1)c1F)c(cc1)ccc1OCc(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C22H15Cl2F2NO2/c23-15-6-9-21(20(26)12-15)27-11-10-22(28)14-4-7-16(8-5-14)29-13-17-18(24)2-1-3-19(17)25/h1-12,27H,13H2 |
| InChIK | IAXGGQMDCTZXJU-UHFFFAOYSA-N |
| TotalMolweight | 434.268 |
| Molweight | 434.268 |
| MonoisotopicMass | 433.044789 |
| CLogP | 5.2362 |
| CLogS | -7.227 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 315.79 |
| Relative PSA | 0.10925 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -0.93876 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (E)-3-(4-chloro-2-fluoroanilino)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]prop-2-en-1-one | 2 - (E)-3-(4-chloro-2-fluoroanilino)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]prop-2-en-1-one
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