(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C10H6NO3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C10H6NO3ClS |
| Smiles | Oc(cc1)c(/C=C(\C(N2)=O)/SC2=O)cc1Cl |
| InChI | InChI=1S/C10H6ClNO3S/c11-6-1-2-7(13)5(3-6)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15) |
| InChIK | AYPQOTKHGUTJQO-UHFFFAOYSA-N |
| TotalMolweight | 255.681 |
| Molweight | 255.681 |
| MonoisotopicMass | 254.975691 |
| CLogP | 1.7497 |
| CLogS | -3.589 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 170.69 |
| Relative PSA | 0.39914 |
| PolarSurfaceArea | 91.7 |
| Druglikeness | 3.0731 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
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