5-[5-[(Z)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]furan-2-yl]-3H-2-benzofuran-1-one
Formula:C20H9N2O3F7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[5-[(Z)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]furan-2-yl]-3H-2-benzofuran-1-one is not a drug-like molecule.
| MolName | 5-[5-[(Z)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]furan-2-yl]-3H-2-benzofuran-1-one |
| MolecularFormula | C20H9N2O3F7 |
| Smiles | O=C1OCc2c1ccc(-c1ccc(/C=N\Nc(c(F)c(c(C(F)(F)F)c3F)F)c3F)o1)c2 |
| InChI | InChI=1S/C20H9F7N2O3/c21-14-13(20(25,26)27)15(22)17(24)18(16(14)23)29-28-6-10-2-4-12(32-10)8-1-3-11-9(5-8)7-31-19(11)30/h1-6,29H,7H2 |
| InChIK | HYTVYQBPIFNPJQ-UHFFFAOYSA-N |
| TotalMolweight | 458.288 |
| Molweight | 458.288 |
| MonoisotopicMass | 458.050139 |
| CLogP | 6.0855 |
| CLogS | -7.021 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.56 |
| Relative PSA | 0.19936 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | -3.2057 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - 5-[5-[(Z)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]furan-2-yl]-3H-2-benzofuran-1-one | 2 - 5-[5-[(Z)-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]furan-2-yl]-3H-2-benzofuran-1-one
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