N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
Formula:C20H14N2O2BrF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C20H14N2O2BrF3 |
| Smiles | O=C(Cc1cc(C(F)(F)F)ccc1)N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C20H14BrF3N2O2/c21-16-6-4-14(5-7-16)18-9-8-17(28-18)12-25-26-19(27)11-13-2-1-3-15(10-13)20(22,23)24/h1-10,12H,11H2,(H,26,27) |
| InChIK | XWFSIXNQOPETRW-UHFFFAOYSA-N |
| TotalMolweight | 451.241 |
| Molweight | 451.241 |
| MonoisotopicMass | 450.019073 |
| CLogP | 5.7121 |
| CLogS | -6.758 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.29 |
| Relative PSA | 0.16802 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -2.5253 |
| 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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