(Z)-N-[[3-(trifluoromethyl)phenyl]methoxy]benzo[e][1]benzofuran-1-imine
Formula:C20H14NO2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-N-[[3-(trifluoromethyl)phenyl]methoxy]benzo[e][1]benzofuran-1-imine is not a drug-like molecule.
| MolName | (Z)-N-[[3-(trifluoromethyl)phenyl]methoxy]benzo[e][1]benzofuran-1-imine |
| MolecularFormula | C20H14NO2F3 |
| Smiles | FC(c1cc(CO/N=C2/c(c3ccccc3cc3)c3OC2)ccc1)(F)F |
| InChI | InChI=1S/C20H14F3NO2/c21-20(22,23)15-6-3-4-13(10-15)11-26-24-17-12-25-18-9-8-14-5-1-2-7-16(14)19(17)18/h1-10H,11-12H2 |
| InChIK | ZVBCAQKNDXIZNR-UHFFFAOYSA-N |
| TotalMolweight | 357.33 |
| Molweight | 357.33 |
| MonoisotopicMass | 357.097663 |
| CLogP | 5.6201 |
| CLogS | -6.25 |
| H Acceptors | 3 |
| TotalSurfaceArea | 254.07 |
| Relative PSA | 0.12402 |
| PolarSurfaceArea | 30.82 |
| Druglikeness | -6.5167 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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