(2Z)-2-[(2E,4Z)-5-(3-hydroxy-1,1-dioxo-1-benzothiophen-2-yl)penta-2,4-dienylidene]-1,1-dioxo-1-benzothiophen-3-one
Formula:C21H14O6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(2E,4Z)-5-(3-hydroxy-1,1-dioxo-1-benzothiophen-2-yl)penta-2,4-dienylidene]-1,1-dioxo-1-benzothiophen-3-one is a drug-like molecule.
| MolName | (2Z)-2-[(2E,4Z)-5-(3-hydroxy-1,1-dioxo-1-benzothiophen-2-yl)penta-2,4-dienylidene]-1,1-dioxo-1-benzothiophen-3-one |
| MolecularFormula | C21H14O6S2 |
| Smiles | OC(c1c2cccc1)=C(/C=C\C=C\C=C(\C(c1c3cccc1)=O)/S3(=O)=O)S2(=O)=O |
| InChI | InChI=1S/C21H14O6S2/c22-20-14-8-4-6-10-16(14)28(24,25)18(20)12-2-1-3-13-19-21(23)15-9-5-7-11-17(15)29(19,26)27/h1-13,22H |
| InChIK | DRNUFORIKYUGHQ-UHFFFAOYSA-N |
| TotalMolweight | 426.468 |
| Molweight | 426.468 |
| MonoisotopicMass | 426.02318 |
| CLogP | 2.3892 |
| CLogS | -5.279 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 287.91 |
| Relative PSA | 0.28933 |
| PolarSurfaceArea | 122.34 |
| Druglikeness | 1.261 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[(2E,4Z)-5-(3-hydroxy-1,1-dioxo-1-benzothiophen-2-yl)penta-2,4-dienylidene]-1,1-dioxo-1-benzothiophen-3-one | 2 - (2Z)-2-[(2E,4Z)-5-(3-hydroxy-1,1-dioxo-1-benzothiophen-2-yl)penta-2,4-dienylidene]-1,1-dioxo-1-benzothiophen-3-one
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