2,4-difluoro-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]aniline
Formula:C14H9N2F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-difluoro-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4-difluoro-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]aniline |
| MolecularFormula | C14H9N2F5 |
| Smiles | FC(c1cccc(/C=N\Nc(ccc(F)c2)c2F)c1)(F)F |
| InChI | InChI=1S/C14H9F5N2/c15-11-4-5-13(12(16)7-11)21-20-8-9-2-1-3-10(6-9)14(17,18)19/h1-8,21H |
| InChIK | VDZWQDCFGAHRDM-UHFFFAOYSA-N |
| TotalMolweight | 300.229 |
| Molweight | 300.229 |
| MonoisotopicMass | 300.068588 |
| CLogP | 5.8908 |
| CLogS | -4.555 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 211.4 |
| Relative PSA | 0.10866 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -4.7675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2,4-difluoro-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]aniline | 2 - 2,4-difluoro-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]aniline
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