(Z)-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]-1-(4-phenylphenyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethanimine
Formula:C36H27N2O3ClF6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(Z)-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]-1-(4-phenylphenyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethanimine is not a drug-like molecule.
| MolName | (Z)-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]-1-(4-phenylphenyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethanimine |
| MolecularFormula | C36H27N2O3ClF6 |
| Smiles | FC(c1cccc(OCCO/N=C(\COc2ccc(Cc(ncc(C(F)(F)F)c3)c3Cl)cc2)/c(cc2)ccc2-c2ccccc2)c1)(F)F |
| InChI | InChI=1S/C36H27ClF6N2O3/c37-32-21-29(36(41,42)43)22-44-33(32)19-24-9-15-30(16-10-24)47-23-34(27-13-11-26(12-14-27)25-5-2-1-3-6-25)45-48-18-17-46-31-8-4-7-28(20-31)35(38,39)40/h1-16,20-22H,17-19,23H2 |
| InChIK | FVUCUTZQDBENKW-UHFFFAOYSA-N |
| TotalMolweight | 685.062 |
| Molweight | 685.062 |
| MonoisotopicMass | 684.161438 |
| CLogP | 9.63 |
| CLogS | -10.197 |
| H Acceptors | 5 |
| TotalSurfaceArea | 493.41 |
| Relative PSA | 0.10636 |
| PolarSurfaceArea | 52.94 |
| Druglikeness | -11.096 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 48 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 14 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 9 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (Z)-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]-1-(4-phenylphenyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethanimine | 2 - (Z)-2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]-1-(4-phenylphenyl)-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethanimine
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