2,4,6-trichloro-N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
Formula:C13H7N2Cl3F2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2,4,6-trichloro-N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4,6-trichloro-N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline |
| MolecularFormula | C13H7N2Cl3F2 |
| Smiles | Fc(ccc(/C=N\Nc(c(Cl)cc(Cl)c1)c1Cl)c1)c1F |
| InChI | InChI=1S/C13H7Cl3F2N2/c14-8-4-9(15)13(10(16)5-8)20-19-6-7-1-2-11(17)12(18)3-7/h1-6,20H |
| InChIK | JFGXCQCSNJETCD-UHFFFAOYSA-N |
| TotalMolweight | 335.568 |
| Molweight | 335.568 |
| MonoisotopicMass | 333.964285 |
| CLogP | 6.8605 |
| CLogS | -5.985 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 228.2 |
| Relative PSA | 0.10066 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 1.0445 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 2,4,6-trichloro-N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline | 2 - 2,4,6-trichloro-N-[(Z)-(3,4-difluorophenyl)methylideneamino]aniline
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