(5Z)-5-benzylidene-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
Formula:C16H10NO2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-benzylidene-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-benzylidene-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C16H10NO2ClS |
| Smiles | O=C(/C(/SC1=O)=C/c2ccccc2)N1c1cccc(Cl)c1 |
| InChI | InChI=1S/C16H10ClNO2S/c17-12-7-4-8-13(10-12)18-15(19)14(21-16(18)20)9-11-5-2-1-3-6-11/h1-10H |
| InChIK | CSNNYIQYFXNFJJ-UHFFFAOYSA-N |
| TotalMolweight | 315.779 |
| Molweight | 315.779 |
| MonoisotopicMass | 315.012076 |
| CLogP | 3.8435 |
| CLogS | -5.368 |
| H Acceptors | 3 |
| TotalSurfaceArea | 222.94 |
| Relative PSA | 0.21136 |
| PolarSurfaceArea | 62.68 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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