(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one
Formula:C22H16NO2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one |
| MolecularFormula | C22H16NO2Cl2F |
| Smiles | O=C(/C=C/Nc(cc1)ccc1F)c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C22H16Cl2FNO2/c23-17-4-1-16(21(24)13-17)14-28-20-9-2-15(3-10-20)22(27)11-12-26-19-7-5-18(25)6-8-19/h1-13,26H,14H2 |
| InChIK | YPXNRRRCHXUBFE-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 | 0.71429 |
| 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 | 4 |
| StereoCon |
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1 - (E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one | 2 - (E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one
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