(E)-3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyanoprop-2-enamide
Formula:C14H9N2O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(E)-3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyanoprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-cyanoprop-2-enamide |
| MolecularFormula | C14H9N2O2ClS |
| Smiles | NC(/C(/C#N)=C/c(o1)ccc1Sc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C14H9ClN2O2S/c15-10-1-4-12(5-2-10)20-13-6-3-11(19-13)7-9(8-16)14(17)18/h1-7H,(H2,17,18) |
| InChIK | ZLYONMOBQIBWBT-UHFFFAOYSA-N |
| TotalMolweight | 304.756 |
| Molweight | 304.756 |
| MonoisotopicMass | 304.007325 |
| CLogP | 2.6413 |
| CLogS | -4.314 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 228.31 |
| Relative PSA | 0.3218 |
| PolarSurfaceArea | 105.32 |
| Druglikeness | -1.5768 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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