2-(2-cyanophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
Formula:C21H14N3O3F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-(2-cyanophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-cyanophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C21H14N3O3F3 |
| Smiles | N#Cc(cccc1)c1OCC(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)=O |
| InChI | InChI=1S/C21H14F3N3O3/c22-21(23,24)16-6-3-5-14(10-16)19-9-8-17(30-19)12-26-27-20(28)13-29-18-7-2-1-4-15(18)11-25/h1-10,12H,13H2,(H,27,28) |
| InChIK | FJKOERKRNVKZLA-UHFFFAOYSA-N |
| TotalMolweight | 413.354 |
| Molweight | 413.354 |
| MonoisotopicMass | 413.098726 |
| CLogP | 4.3993 |
| CLogS | -6.512 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 311.37 |
| Relative PSA | 0.23663 |
| PolarSurfaceArea | 87.62 |
| Druglikeness | -5.0697 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(2-cyanophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide | 2 - 2-(2-cyanophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
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