(2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-phenyl-1,3-thiazolidin-4-one
Formula:C17H12NO2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-phenyl-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-phenyl-1,3-thiazolidin-4-one |
| MolecularFormula | C17H12NO2ClS |
| Smiles | O=C(/C=C(/N1c2ccccc2)\SCC1=O)c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H12ClNO2S/c18-13-8-6-12(7-9-13)15(20)10-17-19(16(21)11-22-17)14-4-2-1-3-5-14/h1-10H,11H2 |
| InChIK | FJTCKKAPYQGXMV-UHFFFAOYSA-N |
| TotalMolweight | 329.806 |
| Molweight | 329.806 |
| MonoisotopicMass | 329.027726 |
| CLogP | 3.5226 |
| CLogS | -5.289 |
| H Acceptors | 3 |
| TotalSurfaceArea | 236.7 |
| Relative PSA | 0.19907 |
| PolarSurfaceArea | 62.68 |
| Druglikeness | 3.1866 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-phenyl-1,3-thiazolidin-4-one | 2 - (2Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-phenyl-1,3-thiazolidin-4-one
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