3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminopyridine-2-carboximidamide
Formula:C21H11N5ClF9
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminopyridine-2-carboximidamide is not a drug-like molecule.
| MolName | 3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminopyridine-2-carboximidamide |
| MolecularFormula | C21H11N5ClF9 |
| Smiles | FC(c(cc1)ccc1N/N=C(/c(ncc(C(F)(F)F)c1)c1Cl)\N=N\c1ccc(C(F)(F)F)cc1)(F)F |
| InChI | InChI=1S/C21H11ClF9N5/c22-16-9-13(21(29,30)31)10-32-17(16)18(35-33-14-5-1-11(2-6-14)19(23,24)25)36-34-15-7-3-12(4-8-15)20(26,27)28/h1-10,33H |
| InChIK | BIBHBUFTXLTXGV-UHFFFAOYSA-N |
| TotalMolweight | 539.788 |
| Molweight | 539.788 |
| MonoisotopicMass | 539.055924 |
| CLogP | 8.7591 |
| CLogS | -7.257 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 352.79 |
| Relative PSA | 0.16146 |
| PolarSurfaceArea | 62 |
| Druglikeness | -10.332 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | azo |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminopyridine-2-carboximidamide | 2 - 3-chloro-5-(trifluoromethyl)-N'-[4-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]iminopyridine-2-carboximidamide
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