(5Z)-5-(1-benzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
Formula:C12H7NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(1-benzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-(1-benzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C12H7NO3S |
| Smiles | O=C(/C(/S1)=C/c2cc(cccc3)c3o2)NC1=O |
| InChI | InChI=1S/C12H7NO3S/c14-11-10(17-12(15)13-11)6-8-5-7-3-1-2-4-9(7)16-8/h1-6H,(H,13,14,15) |
| InChIK | JMRQNSULIHRDLN-UHFFFAOYSA-N |
| TotalMolweight | 245.258 |
| Molweight | 245.258 |
| MonoisotopicMass | 245.014664 |
| CLogP | 1.995 |
| CLogS | -4.332 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 173.21 |
| Relative PSA | 0.39917 |
| PolarSurfaceArea | 84.61 |
| Druglikeness | 2.9649 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-(1-benzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-(1-benzofuran-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
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