N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyaniline
Formula:C20H11N3OCl2F6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyaniline is not a drug-like molecule.
| MolName | N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyaniline |
| MolecularFormula | C20H11N3OCl2F6 |
| Smiles | FC(c1cnc(/C=C/Nc2cccc(Oc(ncc(C(F)(F)F)c3)c3Cl)c2)c(Cl)c1)(F)F |
| InChI | InChI=1S/C20H11Cl2F6N3O/c21-15-6-11(19(23,24)25)9-30-17(15)4-5-29-13-2-1-3-14(8-13)32-18-16(22)7-12(10-31-18)20(26,27)28/h1-10,29H |
| InChIK | WLDGMKSVFAWIKZ-UHFFFAOYSA-N |
| TotalMolweight | 494.221 |
| Molweight | 494.221 |
| MonoisotopicMass | 493.018334 |
| CLogP | 5.7451 |
| CLogS | -7.982 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 328.02 |
| Relative PSA | 0.13231 |
| PolarSurfaceArea | 47.04 |
| Druglikeness | -7.8718 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyaniline | 2 - N-[(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethenyl]-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyaniline
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