| MolName | (5Z)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C10H5NO2Cl2S2 |
| Smiles | Oc(c(/C=C(/C(N1)=O)\SC1=S)cc(Cl)c1)c1Cl |
| InChI | InChI=1S/C10H5Cl2NO2S2/c11-5-1-4(8(14)6(12)3-5)2-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16) |
| InChIK | DKPUTSXUNGELDW-UHFFFAOYSA-N |
| TotalMolweight | 306.193 |
| Molweight | 306.193 |
| MonoisotopicMass | 304.913873 |
| CLogP | 2.0105 |
| CLogS | -4.676 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 201.07 |
| Relative PSA | 0.41324 |
| PolarSurfaceArea | 106.72 |
| Druglikeness | 2.4381 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one