(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione
Formula:C17H11NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H11NO4S |
| Smiles | O=C(/C(/SC1=O)=C\c(cc2)cc3c2OCO3)N1c1ccccc1 |
| InChI | InChI=1S/C17H11NO4S/c19-16-15(9-11-6-7-13-14(8-11)22-10-21-13)23-17(20)18(16)12-4-2-1-3-5-12/h1-9H,10H2 |
| InChIK | YYWPQBAOKFBAHT-UHFFFAOYSA-N |
| TotalMolweight | 325.343 |
| Molweight | 325.343 |
| MonoisotopicMass | 325.040879 |
| CLogP | 3.3489 |
| CLogS | -5.343 |
| H Acceptors | 5 |
| TotalSurfaceArea | 227.78 |
| Relative PSA | 0.29467 |
| PolarSurfaceArea | 81.14 |
| Druglikeness | 3.143 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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