N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
Formula:C21H11N2OCl2F7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline |
| MolecularFormula | C21H11N2OCl2F7 |
| Smiles | FC(c(c(F)c(c(N/N=C\c(cccc1)c1OCc(ccc(Cl)c1)c1Cl)c1F)F)c1F)(F)F |
| InChI | InChI=1S/C21H11Cl2F7N2O/c22-12-6-5-11(13(23)7-12)9-33-14-4-2-1-3-10(14)8-31-32-20-18(26)16(24)15(21(28,29)30)17(25)19(20)27/h1-8,32H,9H2 |
| InChIK | JCWJAMAGOUDFRE-UHFFFAOYSA-N |
| TotalMolweight | 511.223 |
| Molweight | 511.223 |
| MonoisotopicMass | 510.013663 |
| CLogP | 8.6525 |
| CLogS | -7.996 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 338.46 |
| Relative PSA | 0.097412 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -5.5175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline | 2 - N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
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