(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one
Formula:C22H16NO2ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one |
| MolecularFormula | C22H16NO2ClF2 |
| Smiles | O=C(/C=C/Nc(cc1)ccc1F)c(cc1)ccc1OCc(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C22H16ClF2NO2/c23-20-2-1-3-21(25)19(20)14-28-18-10-4-15(5-11-18)22(27)12-13-26-17-8-6-16(24)7-9-17/h1-13,26H,14H2 |
| InChIK | YDODHIHOELYTOB-UHFFFAOYSA-N |
| TotalMolweight | 399.823 |
| Molweight | 399.823 |
| MonoisotopicMass | 399.083762 |
| CLogP | 4.6302 |
| CLogS | -6.491 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 300.37 |
| Relative PSA | 0.11486 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -0.93876 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| 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-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one | 2 - (E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one
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