4-fluoro-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
Formula:C19H12N2O2F4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-fluoro-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-fluoro-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide |
| MolecularFormula | C19H12N2O2F4 |
| Smiles | O=C(c(cc1)ccc1F)N/N=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1 |
| InChI | InChI=1S/C19H12F4N2O2/c20-15-6-4-12(5-7-15)18(26)25-24-11-16-8-9-17(27-16)13-2-1-3-14(10-13)19(21,22)23/h1-11H,(H,25,26) |
| InChIK | CRUOOKQKTRIEAX-UHFFFAOYSA-N |
| TotalMolweight | 376.308 |
| Molweight | 376.308 |
| MonoisotopicMass | 376.08349 |
| CLogP | 5.0896 |
| CLogS | -6.273 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 272.25 |
| Relative PSA | 0.1841 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -0.72167 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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