N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
Formula:C25H15N2O3F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide |
| MolecularFormula | C25H15N2O3F3 |
| Smiles | O=C(c1cc(c2ccccc2cc2)c2o1)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 |
| InChI | InChI=1S/C25H15F3N2O3/c26-25(27,28)17-6-3-5-16(12-17)21-11-9-18(32-21)14-29-30-24(31)23-13-20-19-7-2-1-4-15(19)8-10-22(20)33-23/h1-14H,(H,30,31) |
| InChIK | KPMPITUPKLLMTI-UHFFFAOYSA-N |
| TotalMolweight | 448.399 |
| Molweight | 448.399 |
| MonoisotopicMass | 448.103477 |
| CLogP | 6.6888 |
| CLogS | -8.748 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 324.79 |
| Relative PSA | 0.19776 |
| PolarSurfaceArea | 67.74 |
| Druglikeness | -0.54226 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide | 2 - N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzo[e][1]benzofuran-2-carboxamide
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