N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2,4,6-trichloroaniline
Formula:C15H9N2O2Cl3F4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2,4,6-trichloroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2,4,6-trichloroaniline |
| MolecularFormula | C15H9N2O2Cl3F4 |
| Smiles | FC(Oc1cc(OC(F)F)c(/C=N\Nc(c(Cl)cc(Cl)c2)c2Cl)cc1)F |
| InChI | InChI=1S/C15H9Cl3F4N2O2/c16-8-3-10(17)13(11(18)4-8)24-23-6-7-1-2-9(25-14(19)20)5-12(7)26-15(21)22/h1-6,14-15,24H |
| InChIK | WAGSFOSOAXWFLG-UHFFFAOYSA-N |
| TotalMolweight | 431.599 |
| Molweight | 431.599 |
| MonoisotopicMass | 429.966571 |
| CLogP | 6.9977 |
| CLogS | -6.601 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 285.9 |
| Relative PSA | 0.1503 |
| PolarSurfaceArea | 42.85 |
| Druglikeness | -0.68046 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2,4,6-trichloroaniline | 2 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2,4,6-trichloroaniline
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