(5E)-5-[(2-iodophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H10NOIS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(2-iodophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(2-iodophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H10NOIS2 |
| Smiles | O=C(/C(/SC1=S)=C\c(cccc2)c2I)N1c1ccccc1 |
| InChI | InChI=1S/C16H10INOS2/c17-13-9-5-4-6-11(13)10-14-15(19)18(16(20)21-14)12-7-2-1-3-8-12/h1-10H |
| InChIK | XJLRMEUSBNKTSR-UHFFFAOYSA-N |
| TotalMolweight | 423.293 |
| Molweight | 423.293 |
| MonoisotopicMass | 422.924852 |
| CLogP | 3.3294 |
| CLogS | -5.999 |
| H Acceptors | 2 |
| TotalSurfaceArea | 248.76 |
| Relative PSA | 0.24956 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 3.2638 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(2-iodophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(2-iodophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
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