(5E)-3-(3-chlorophenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
Formula:C15H9N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(3-chlorophenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-(3-chlorophenyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C15H9N2O2ClS |
| Smiles | O=C(/C(/SC1=O)=C\c2ccncc2)N1c1cccc(Cl)c1 |
| InChI | InChI=1S/C15H9ClN2O2S/c16-11-2-1-3-12(9-11)18-14(19)13(21-15(18)20)8-10-4-6-17-7-5-10/h1-9H |
| InChIK | OFDHQUXTCMSDGI-UHFFFAOYSA-N |
| TotalMolweight | 316.767 |
| Molweight | 316.767 |
| MonoisotopicMass | 316.007325 |
| CLogP | 2.8426 |
| CLogS | -4.573 |
| H Acceptors | 4 |
| TotalSurfaceArea | 221.7 |
| Relative PSA | 0.26202 |
| PolarSurfaceArea | 75.57 |
| Druglikeness | 3.2807 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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