4-bromo-N-[(Z)-(2-fluorophenyl)methylideneamino]aniline
Formula:C13H10N2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(2-fluorophenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(2-fluorophenyl)methylideneamino]aniline |
| MolecularFormula | C13H10N2BrF |
| Smiles | Fc1c(/C=N\Nc(cc2)ccc2Br)cccc1 |
| InChI | InChI=1S/C13H10BrFN2/c14-11-5-7-12(8-6-11)17-16-9-10-3-1-2-4-13(10)15/h1-9,17H |
| InChIK | AOBNMXJHAAPODP-UHFFFAOYSA-N |
| TotalMolweight | 293.138 |
| Molweight | 293.138 |
| MonoisotopicMass | 292.001137 |
| CLogP | 5.6669 |
| CLogS | -4.297 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 194.22 |
| Relative PSA | 0.11827 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -0.70746 |
| 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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