(2E)-2-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1-benzothiophen-3-one
Formula:C15H8O2I2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1-benzothiophen-3-one is not a drug-like molecule.
| MolName | (2E)-2-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1-benzothiophen-3-one |
| MolecularFormula | C15H8O2I2S |
| Smiles | Oc(c(/C=C1/Sc(cccc2)c2C1=O)cc(I)c1)c1I |
| InChI | InChI=1S/C15H8I2O2S/c16-9-5-8(14(18)11(17)7-9)6-13-15(19)10-3-1-2-4-12(10)20-13/h1-7,18H |
| InChIK | QNZUALQVLBDZQZ-UHFFFAOYSA-N |
| TotalMolweight | 506.093 |
| Molweight | 506.093 |
| MonoisotopicMass | 505.833446 |
| CLogP | 3.5982 |
| CLogS | -6.492 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 238.38 |
| Relative PSA | 0.18303 |
| PolarSurfaceArea | 62.6 |
| Druglikeness | 2.0159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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