(Z)-1-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine
Formula:C20H11NO2Cl2F6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-1-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine is not a drug-like molecule.
| MolName | (Z)-1-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine |
| MolecularFormula | C20H11NO2Cl2F6 |
| Smiles | FC(c1cc(-c2ccc(/C=N\OCc(c(Cl)ccc3)c3Cl)o2)cc(C(F)(F)F)c1)(F)F |
| InChI | InChI=1S/C20H11Cl2F6NO2/c21-16-2-1-3-17(22)15(16)10-30-29-9-14-4-5-18(31-14)11-6-12(19(23,24)25)8-13(7-11)20(26,27)28/h1-9H,10H2 |
| InChIK | WUBXPDYFPCMUES-UHFFFAOYSA-N |
| TotalMolweight | 482.206 |
| Molweight | 482.206 |
| MonoisotopicMass | 481.007101 |
| CLogP | 7.6832 |
| CLogS | -8.13 |
| H Acceptors | 3 |
| TotalSurfaceArea | 320.75 |
| Relative PSA | 0.11105 |
| PolarSurfaceArea | 34.73 |
| Druglikeness | -4.7375 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 11 |
| StereoCon |
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1 - (Z)-1-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine | 2 - (Z)-1-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-N-[(2,6-dichlorophenyl)methoxy]methanimine
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