(5Z)-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
Formula:C15H10N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C15H10N2O2S |
| Smiles | O=C(/C(/SC1=O)=C/c2ccncc2)N1c1ccccc1 |
| InChI | InChI=1S/C15H10N2O2S/c18-14-13(10-11-6-8-16-9-7-11)20-15(19)17(14)12-4-2-1-3-5-12/h1-10H |
| InChIK | SWJJRRWLIVDOMK-UHFFFAOYSA-N |
| TotalMolweight | 282.322 |
| Molweight | 282.322 |
| MonoisotopicMass | 282.046298 |
| CLogP | 2.2366 |
| CLogS | -3.837 |
| H Acceptors | 4 |
| TotalSurfaceArea | 206.28 |
| Relative PSA | 0.28161 |
| PolarSurfaceArea | 75.57 |
| Druglikeness | 3.2345 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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