(3E)-3-[(4-chlorophenyl)sulfanylmethylidene]-2-benzofuran-1-one
Formula:C15H9O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(4-chlorophenyl)sulfanylmethylidene]-2-benzofuran-1-one is a drug-like molecule.
| MolName | (3E)-3-[(4-chlorophenyl)sulfanylmethylidene]-2-benzofuran-1-one |
| MolecularFormula | C15H9O2ClS |
| Smiles | O=C(c1c2cccc1)O/C2=C/Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C15H9ClO2S/c16-10-5-7-11(8-6-10)19-9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H |
| InChIK | TWQCNTKLZPOZNI-UHFFFAOYSA-N |
| TotalMolweight | 288.753 |
| Molweight | 288.753 |
| MonoisotopicMass | 288.001177 |
| CLogP | 3.963 |
| CLogS | -4.903 |
| H Acceptors | 2 |
| TotalSurfaceArea | 204.89 |
| Relative PSA | 0.19781 |
| PolarSurfaceArea | 51.6 |
| Druglikeness | -0.68875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (3E)-3-[(4-chlorophenyl)sulfanylmethylidene]-2-benzofuran-1-one | 2 - (3E)-3-[(4-chlorophenyl)sulfanylmethylidene]-2-benzofuran-1-one
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