2,4,6-trichloro-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]aniline
Formula:C13H7N2Cl5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2,4,6-trichloro-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4,6-trichloro-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]aniline |
| MolecularFormula | C13H7N2Cl5 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc(c(Cl)cc(Cl)c2)c2Cl)cc1 |
| InChI | InChI=1S/C13H7Cl5N2/c14-8-2-1-7(10(16)3-8)6-19-20-13-11(17)4-9(15)5-12(13)18/h1-6,20H |
| InChIK | ABQHUALHYNONGG-UHFFFAOYSA-N |
| TotalMolweight | 368.478 |
| Molweight | 368.478 |
| MonoisotopicMass | 365.905183 |
| CLogP | 7.8709 |
| CLogS | -6.829 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 246.34 |
| Relative PSA | 0.093245 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 2.3845 |
| 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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