2,4,6-trichloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]aniline
Formula:C13H4N2Cl3F5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2,4,6-trichloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 2,4,6-trichloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]aniline |
| MolecularFormula | C13H4N2Cl3F5 |
| Smiles | Fc(c(/C=N\Nc(c(Cl)cc(Cl)c1)c1Cl)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C13H4Cl3F5N2/c14-4-1-6(15)13(7(16)2-4)23-22-3-5-8(17)10(19)12(21)11(20)9(5)18/h1-3,23H |
| InChIK | QUAXTLOLKUZCSG-UHFFFAOYSA-N |
| TotalMolweight | 389.538 |
| Molweight | 389.538 |
| MonoisotopicMass | 387.936019 |
| CLogP | 7.1629 |
| CLogS | -6.927 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 247.25 |
| Relative PSA | 0.092902 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 1.0445 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring; polyhalo aromatic ring |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - 2,4,6-trichloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]aniline | 2 - 2,4,6-trichloro-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]aniline
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