3-(trifluoromethyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
Formula:C15H10N2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(trifluoromethyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 3-(trifluoromethyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline |
| MolecularFormula | C15H10N2F6 |
| Smiles | FC(c1cccc(N/N=C\c2c(C(F)(F)F)cccc2)c1)(F)F |
| InChI | InChI=1S/C15H10F6N2/c16-14(17,18)11-5-3-6-12(8-11)23-22-9-10-4-1-2-7-13(10)15(19,20)21/h1-9,23H |
| InChIK | IRGBPOCDZVRHEU-UHFFFAOYSA-N |
| TotalMolweight | 332.246 |
| Molweight | 332.246 |
| MonoisotopicMass | 332.074816 |
| CLogP | 6.5375 |
| CLogS | -4.705 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 228.16 |
| Relative PSA | 0.10067 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.7675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 3-(trifluoromethyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline | 2 - 3-(trifluoromethyl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
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