N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(trifluoromethyl)aniline
Formula:C16H11N2O2F7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(trifluoromethyl)aniline |
| MolecularFormula | C16H11N2O2F7 |
| Smiles | FC(Oc1cc(OC(F)F)c(/C=N\Nc2c(C(F)(F)F)cccc2)cc1)F |
| InChI | InChI=1S/C16H11F7N2O2/c17-14(18)26-10-6-5-9(13(7-10)27-15(19)20)8-24-25-12-4-2-1-3-11(12)16(21,22)23/h1-8,14-15,25H |
| InChIK | LTWPSUDMNCINQF-UHFFFAOYSA-N |
| TotalMolweight | 396.261 |
| Molweight | 396.261 |
| MonoisotopicMass | 396.070874 |
| CLogP | 6.028 |
| CLogS | -5.171 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 269.1 |
| Relative PSA | 0.15968 |
| PolarSurfaceArea | 42.85 |
| Druglikeness | -4.8435 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(trifluoromethyl)aniline | 2 - N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-2-(trifluoromethyl)aniline
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