(2E)-2-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-1-benzothiophen-3-one
Formula:C22H14O2I2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-1-benzothiophen-3-one is not a drug-like molecule.
| MolName | (2E)-2-[(3,5-diiodo-4-phenylmethoxyphenyl)methylidene]-1-benzothiophen-3-one |
| MolecularFormula | C22H14O2I2S |
| Smiles | O=C1c(cccc2)c2S/C1=C/c(cc1I)cc(I)c1OCc1ccccc1 |
| InChI | InChI=1S/C22H14I2O2S/c23-17-10-15(12-20-21(25)16-8-4-5-9-19(16)27-20)11-18(24)22(17)26-13-14-6-2-1-3-7-14/h1-12H,13H2 |
| InChIK | IJYFTUAQYCGQCQ-UHFFFAOYSA-N |
| TotalMolweight | 596.217 |
| Molweight | 596.217 |
| MonoisotopicMass | 595.880396 |
| CLogP | 5.292 |
| CLogS | -8.129 |
| H Acceptors | 2 |
| TotalSurfaceArea | 315.55 |
| Relative PSA | 0.12844 |
| PolarSurfaceArea | 51.6 |
| Druglikeness | 1.7475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| StereoCon |
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