N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C19H13N2O2F3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C19H13N2O2F3S |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)N/N=C\c(o1)ccc1Sc1ccccc1 |
| InChI | InChI=1S/C19H13F3N2O2S/c20-19(21,22)14-6-4-5-13(11-14)18(25)24-23-12-15-9-10-17(26-15)27-16-7-2-1-3-8-16/h1-12H,(H,24,25) |
| InChIK | OSWWMLPYUPIQDB-UHFFFAOYSA-N |
| TotalMolweight | 390.384 |
| Molweight | 390.384 |
| MonoisotopicMass | 390.064982 |
| CLogP | 5.1571 |
| CLogS | -5.73 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 283.39 |
| Relative PSA | 0.23858 |
| PolarSurfaceArea | 79.9 |
| Druglikeness | -0.5047 |
| 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 | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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