2-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)aniline
Formula:C15H10N2OClF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-5-(trifluoromethyl)aniline |
| MolecularFormula | C15H10N2OClF5 |
| Smiles | FC(Oc1ccc(/C=N\Nc(cc(C(F)(F)F)cc2)c2Cl)cc1)F |
| InChI | InChI=1S/C15H10ClF5N2O/c16-12-6-3-10(15(19,20)21)7-13(12)23-22-8-9-1-4-11(5-2-9)24-14(17)18/h1-8,14,23H |
| InChIK | RTLRMNJAEILJBO-UHFFFAOYSA-N |
| TotalMolweight | 364.7 |
| Molweight | 364.7 |
| MonoisotopicMass | 364.04018 |
| CLogP | 6.4646 |
| CLogS | -5.285 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 249.32 |
| Relative PSA | 0.13224 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -4.8305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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