2,4-difluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]aniline
Formula:C13H9N2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-difluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4-difluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]aniline |
| MolecularFormula | C13H9N2F3 |
| Smiles | Fc1ccc(/C=N\Nc(ccc(F)c2)c2F)cc1 |
| InChI | InChI=1S/C13H9F3N2/c14-10-3-1-9(2-4-10)8-17-18-13-6-5-11(15)7-12(13)16/h1-8,18H |
| InChIK | YLEMWEUDDYTSCF-UHFFFAOYSA-N |
| TotalMolweight | 250.222 |
| Molweight | 250.222 |
| MonoisotopicMass | 250.071782 |
| CLogP | 5.1433 |
| CLogS | -4.091 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 188.29 |
| Relative PSA | 0.12199 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 1.0825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2,4-difluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]aniline | 2 - 2,4-difluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]aniline
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