2-(4-chlorophenyl)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
Formula:C20H14N2O2ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(4-chlorophenyl)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C20H14N2O2ClF3 |
| Smiles | O=C(Cc(cc1)ccc1Cl)N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1 |
| InChI | InChI=1S/C20H14ClF3N2O2/c21-16-6-4-13(5-7-16)10-19(27)26-25-12-17-8-9-18(28-17)14-2-1-3-15(11-14)20(22,23)24/h1-9,11-12H,10H2,(H,26,27) |
| InChIK | ABLKJSJLQZHSHR-UHFFFAOYSA-N |
| TotalMolweight | 406.79 |
| Molweight | 406.79 |
| MonoisotopicMass | 406.069589 |
| CLogP | 5.5929 |
| CLogS | -6.66 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 295.08 |
| Relative PSA | 0.16985 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -0.70259 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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