2,6-dichloro-N-[(Z)-[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline
Formula:C19H8N2OCl4F6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2,6-dichloro-N-[(Z)-[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2,6-dichloro-N-[(Z)-[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C19H8N2OCl4F6 |
| Smiles | FC(c1cc(Cl)c(-c2ccc(/C=N\Nc(c(Cl)cc(C(F)(F)F)c3)c3Cl)o2)c(Cl)c1)(F)F |
| InChI | InChI=1S/C19H8Cl4F6N2O/c20-11-3-8(18(24,25)26)4-12(21)16(11)15-2-1-10(32-15)7-30-31-17-13(22)5-9(6-14(17)23)19(27,28)29/h1-7,31H |
| InChIK | GRTJQRCTEXFQLA-UHFFFAOYSA-N |
| TotalMolweight | 536.086 |
| Molweight | 536.086 |
| MonoisotopicMass | 533.929489 |
| CLogP | 9.9004 |
| CLogS | -9.109 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 339.29 |
| Relative PSA | 0.10929 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | -2.7914 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - 2,6-dichloro-N-[(Z)-[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline | 2 - 2,6-dichloro-N-[(Z)-[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-4-(trifluoromethyl)aniline
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