2-(4-chlorophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
Formula:C20H14N2O3ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-(4-chlorophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-chlorophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C20H14N2O3ClF3 |
| Smiles | O=C(COc(cc1)ccc1Cl)N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1 |
| InChI | InChI=1S/C20H14ClF3N2O3/c21-15-4-6-16(7-5-15)28-12-19(27)26-25-11-17-8-9-18(29-17)13-2-1-3-14(10-13)20(22,23)24/h1-11H,12H2,(H,26,27) |
| InChIK | FNEHTPNZCSMHNJ-UHFFFAOYSA-N |
| TotalMolweight | 422.789 |
| Molweight | 422.789 |
| MonoisotopicMass | 422.064504 |
| CLogP | 5.1697 |
| CLogS | -6.475 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 305.08 |
| Relative PSA | 0.19706 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | -0.75635 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-(4-chlorophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide | 2 - 2-(4-chlorophenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
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