3-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline
Formula:C13H10N2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 3-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline |
| MolecularFormula | C13H10N2F2 |
| Smiles | Fc1ccc(/C=N/Nc2cccc(F)c2)cc1 |
| InChI | InChI=1S/C13H10F2N2/c14-11-6-4-10(5-7-11)9-16-17-13-3-1-2-12(15)8-13/h1-9,17H |
| InChIK | FFYGGBORBACOGQ-UHFFFAOYSA-N |
| TotalMolweight | 232.232 |
| Molweight | 232.232 |
| MonoisotopicMass | 232.081204 |
| CLogP | 5.0425 |
| CLogS | -3.777 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 181.94 |
| Relative PSA | 0.12625 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 1.0825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 3-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline | 2 - 3-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]aniline
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