2,3,5,6-tetrafluoro-N-[(E)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline
Formula:C12H5N2F7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,3,5,6-tetrafluoro-N-[(E)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2,3,5,6-tetrafluoro-N-[(E)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C12H5N2F7S |
| Smiles | FC(c(c(F)c(c(N/N=C/c1cccs1)c1F)F)c1F)(F)F |
| InChI | InChI=1S/C12H5F7N2S/c13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-20-4-5-2-1-3-22-5/h1-4,21H |
| InChIK | PUWBYRYCTCLZNB-UHFFFAOYSA-N |
| TotalMolweight | 342.238 |
| Molweight | 342.238 |
| MonoisotopicMass | 342.006164 |
| CLogP | 5.959 |
| CLogS | -5.193 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 220.04 |
| Relative PSA | 0.19692 |
| PolarSurfaceArea | 52.63 |
| Druglikeness | -3.0852 |
| 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 | 22 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 2,3,5,6-tetrafluoro-N-[(E)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline | 2 - 2,3,5,6-tetrafluoro-N-[(E)-thiophen-2-ylmethylideneamino]-4-(trifluoromethyl)aniline
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