4-bromo-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]aniline
Formula:C13H9N2BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]aniline |
| MolecularFormula | C13H9N2BrCl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc(cc2)ccc2Br)cc1 |
| InChI | InChI=1S/C13H9BrCl2N2/c14-10-2-5-12(6-3-10)18-17-8-9-1-4-11(15)7-13(9)16/h1-8,18H |
| InChIK | FIVMQCFHPILTHZ-UHFFFAOYSA-N |
| TotalMolweight | 344.038 |
| Molweight | 344.038 |
| MonoisotopicMass | 341.932613 |
| CLogP | 6.7781 |
| CLogS | -5.455 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 218.71 |
| Relative PSA | 0.10502 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 0.59454 |
| 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 - 4-bromo-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]aniline | 2 - 4-bromo-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]aniline
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