2,3,5,6-tetrafluoro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-4-(trifluoromethyl)aniline
Formula:C18H9N2OF7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2,3,5,6-tetrafluoro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2,3,5,6-tetrafluoro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C18H9N2OF7 |
| Smiles | FC(c(c(F)c(c(N/N=C\c1ccc(-c2ccccc2)o1)c1F)F)c1F)(F)F |
| InChI | InChI=1S/C18H9F7N2O/c19-13-12(18(23,24)25)14(20)16(22)17(15(13)21)27-26-8-10-6-7-11(28-10)9-4-2-1-3-5-9/h1-8,27H |
| InChIK | CUWPMJSSJVWZFW-UHFFFAOYSA-N |
| TotalMolweight | 402.268 |
| Molweight | 402.268 |
| MonoisotopicMass | 402.060309 |
| CLogP | 7.0313 |
| CLogS | -6.643 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 273.55 |
| Relative PSA | 0.13555 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | -2.8155 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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 - 2,3,5,6-tetrafluoro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-4-(trifluoromethyl)aniline | 2 - 2,3,5,6-tetrafluoro-N-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-4-(trifluoromethyl)aniline
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