| MolName | (5Z)-5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C13H7NO3S2 |
| Smiles | O=C(/C(/S1)=C/C2=COc(cccc3)c3C2=O)NC1=S |
| InChI | InChI=1S/C13H7NO3S2/c15-11-7(5-10-12(16)14-13(18)19-10)6-17-9-4-2-1-3-8(9)11/h1-6H,(H,14,16,18) |
| InChIK | VOQKYYMMDXMDIG-UHFFFAOYSA-N |
| TotalMolweight | 289.335 |
| Molweight | 289.335 |
| MonoisotopicMass | 288.986734 |
| CLogP | 0.8999 |
| CLogS | -4.07 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 202.84 |
| Relative PSA | 0.45864 |
| PolarSurfaceArea | 112.79 |
| Druglikeness | 2.9812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one