| MolName | N-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)acetamide |
| MolecularFormula | C18H11N2O3Cl3S2 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Cl)NN(C(/C(/S1)=C/c(cccc2)c2Cl)=O)C1=S |
| InChI | InChI=1S/C18H11Cl3N2O3S2/c19-11-5-6-14(13(21)8-11)26-9-16(24)22-23-17(25)15(28-18(23)27)7-10-3-1-2-4-12(10)20/h1-8H,9H2,(H,22,24) |
| InChIK | NRXXPTZJFSWHCP-UHFFFAOYSA-N |
| TotalMolweight | 473.787 |
| Molweight | 473.787 |
| MonoisotopicMass | 471.927664 |
| CLogP | 2.8641 |
| CLogS | -6.672 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 321.71 |
| Relative PSA | 0.30021 |
| PolarSurfaceArea | 116.03 |
| Druglikeness | 3.9767 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - N-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)acetamide | 2 - N-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)acetamide