N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
Formula:C18H8N2OClF7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline |
| MolecularFormula | C18H8N2OClF7 |
| Smiles | FC(c(c(F)c(c(N/N=C\c1ccc(-c(cc2)ccc2Cl)o1)c1F)F)c1F)(F)F |
| InChI | InChI=1S/C18H8ClF7N2O/c19-9-3-1-8(2-4-9)11-6-5-10(29-11)7-27-28-17-15(22)13(20)12(18(24,25)26)14(21)16(17)23/h1-7,28H |
| InChIK | KKEWDDSIGZQNBQ-UHFFFAOYSA-N |
| TotalMolweight | 436.714 |
| Molweight | 436.714 |
| MonoisotopicMass | 436.021336 |
| CLogP | 7.6373 |
| CLogS | -7.379 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 288.97 |
| Relative PSA | 0.12832 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | -2.7914 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline | 2 - N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
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