(5E)-5-[(4-hydroxy-3-iodophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
Formula:C16H10NO3IS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-hydroxy-3-iodophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(4-hydroxy-3-iodophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C16H10NO3IS |
| Smiles | Oc(ccc(/C=C(\C(N1c2ccccc2)=O)/SC1=O)c1)c1I |
| InChI | InChI=1S/C16H10INO3S/c17-12-8-10(6-7-13(12)19)9-14-15(20)18(16(21)22-14)11-4-2-1-3-5-11/h1-9,19H |
| InChIK | NSINKDGHDQPRSQ-UHFFFAOYSA-N |
| TotalMolweight | 423.225 |
| Molweight | 423.225 |
| MonoisotopicMass | 422.942612 |
| CLogP | 3.3289 |
| CLogS | -5.352 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.15 |
| Relative PSA | 0.25076 |
| PolarSurfaceArea | 82.91 |
| Druglikeness | 3.7175 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-[(4-hydroxy-3-iodophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(4-hydroxy-3-iodophenyl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
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