(E)-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzo[e][1]benzofuran-1-imine
Formula:C21H16NO3F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzo[e][1]benzofuran-1-imine is not a drug-like molecule.
| MolName | (E)-N-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzo[e][1]benzofuran-1-imine |
| MolecularFormula | C21H16NO3F3 |
| Smiles | FC(c1cc(OCCO/N=C2\c(c3ccccc3cc3)c3OC2)ccc1)(F)F |
| InChI | InChI=1S/C21H16F3NO3/c22-21(23,24)15-5-3-6-16(12-15)26-10-11-28-25-18-13-27-19-9-8-14-4-1-2-7-17(14)20(18)19/h1-9,12H,10-11,13H2 |
| InChIK | YMCYGNQVZHGFEJ-UHFFFAOYSA-N |
| TotalMolweight | 387.356 |
| Molweight | 387.356 |
| MonoisotopicMass | 387.108228 |
| CLogP | 5.627 |
| CLogS | -6.177 |
| H Acceptors | 4 |
| TotalSurfaceArea | 277.83 |
| Relative PSA | 0.14941 |
| PolarSurfaceArea | 40.05 |
| Druglikeness | -11.107 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| StereoCon |
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