(5E)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C17H13NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H13NO3S |
| Smiles | O=C(/C(/S1)=C\c(cc2)ccc2OCc2ccccc2)NC1=O |
| InChI | InChI=1S/C17H13NO3S/c19-16-15(22-17(20)18-16)10-12-6-8-14(9-7-12)21-11-13-4-2-1-3-5-13/h1-10H,11H2,(H,18,19,20) |
| InChIK | NITHMFXIRVGRJD-UHFFFAOYSA-N |
| TotalMolweight | 311.36 |
| Molweight | 311.36 |
| MonoisotopicMass | 311.061614 |
| CLogP | 2.8375 |
| CLogS | -4.49 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.44 |
| Relative PSA | 0.27977 |
| PolarSurfaceArea | 80.7 |
| Druglikeness | 2.7855 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
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