2,3,5,6-tetrafluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4-(trifluoromethyl)aniline
Formula:C16H9N2F7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,3,5,6-tetrafluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2,3,5,6-tetrafluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C16H9N2F7 |
| Smiles | FC(c(c(F)c(c(N/N=C\C=C\c1ccccc1)c1F)F)c1F)(F)F |
| InChI | InChI=1S/C16H9F7N2/c17-11-10(16(21,22)23)12(18)14(20)15(13(11)19)25-24-8-4-7-9-5-2-1-3-6-9/h1-8,25H |
| InChIK | OEZXLZVHZKIHDS-UHFFFAOYSA-N |
| TotalMolweight | 362.247 |
| Molweight | 362.247 |
| MonoisotopicMass | 362.065394 |
| CLogP | 6.1107 |
| CLogS | -5.475 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 250.6 |
| Relative PSA | 0.09166 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.8948 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - 2,3,5,6-tetrafluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4-(trifluoromethyl)aniline | 2 - 2,3,5,6-tetrafluoro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-4-(trifluoromethyl)aniline
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