| MolName | (5Z)-5-[(7-hydroxy-4-oxochromen-3-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H11NO4S2 |
| Smiles | Oc(cc1)cc(OC=C2/C=C(/C(N3c4ccccc4)=O)\SC3=S)c1C2=O |
| InChI | InChI=1S/C19H11NO4S2/c21-13-6-7-14-15(9-13)24-10-11(17(14)22)8-16-18(23)20(19(25)26-16)12-4-2-1-3-5-12/h1-10,21H |
| InChIK | JOTKHWMXDGPVOQ-UHFFFAOYSA-N |
| TotalMolweight | 381.431 |
| Molweight | 381.431 |
| MonoisotopicMass | 381.012949 |
| CLogP | 2.3023 |
| CLogS | -5.257 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 267.79 |
| Relative PSA | 0.36678 |
| PolarSurfaceArea | 124.23 |
| Druglikeness | 3.3997 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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1 - (5Z)-5-[(7-hydroxy-4-oxochromen-3-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(7-hydroxy-4-oxochromen-3-yl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one