(E)-1-(4-bromophenyl)-N-[(3-chloro-2-fluorophenyl)methoxy]-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]ethanimine
Formula:C28H19N2O2BrCl2F4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(E)-1-(4-bromophenyl)-N-[(3-chloro-2-fluorophenyl)methoxy]-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]ethanimine is not a drug-like molecule.
| MolName | (E)-1-(4-bromophenyl)-N-[(3-chloro-2-fluorophenyl)methoxy]-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]ethanimine |
| MolecularFormula | C28H19N2O2BrCl2F4 |
| Smiles | FC(c1cnc(Cc(cc2)ccc2OC/C(/c(cc2)ccc2Br)=N/OCc(cccc2Cl)c2F)c(Cl)c1)(F)F |
| InChI | InChI=1S/C28H19BrCl2F4N2O2/c29-21-8-6-18(7-9-21)26(37-39-15-19-2-1-3-23(30)27(19)32)16-38-22-10-4-17(5-11-22)12-25-24(31)13-20(14-36-25)28(33,34)35/h1-11,13-14H,12,15-16H2 |
| InChIK | PTAHTYSAXGHHHR-UHFFFAOYSA-N |
| TotalMolweight | 642.273 |
| Molweight | 642.273 |
| MonoisotopicMass | 639.994305 |
| CLogP | 8.5476 |
| CLogS | -9.29 |
| H Acceptors | 4 |
| TotalSurfaceArea | 420.83 |
| Relative PSA | 0.10094 |
| PolarSurfaceArea | 43.71 |
| Druglikeness | -8.2958 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1-(4-bromophenyl)-N-[(3-chloro-2-fluorophenyl)methoxy]-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]ethanimine | 2 - (E)-1-(4-bromophenyl)-N-[(3-chloro-2-fluorophenyl)methoxy]-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]ethanimine
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