2-phenyl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
Formula:C20H15N2O2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-phenyl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-phenyl-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C20H15N2O2F3 |
| Smiles | O=C(Cc1ccccc1)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 |
| InChI | InChI=1S/C20H15F3N2O2/c21-20(22,23)16-8-4-7-15(12-16)18-10-9-17(27-18)13-24-25-19(26)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,25,26) |
| InChIK | CZIPHKWZUGABAW-UHFFFAOYSA-N |
| TotalMolweight | 372.345 |
| Molweight | 372.345 |
| MonoisotopicMass | 372.108562 |
| CLogP | 4.9869 |
| CLogS | -5.924 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 279.66 |
| Relative PSA | 0.17922 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | -0.73528 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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