| MolName | (5Z)-3-amino-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C10H8N3OClS |
| Smiles | NN(C(/C(/N1)=C/c(cc2)ccc2Cl)=O)C1=S |
| InChI | InChI=1S/C10H8ClN3OS/c11-7-3-1-6(2-4-7)5-8-9(15)14(12)10(16)13-8/h1-5H,12H2,(H,13,16) |
| InChIK | CSPBEBVULHIAPZ-UHFFFAOYSA-N |
| TotalMolweight | 253.713 |
| Molweight | 253.713 |
| MonoisotopicMass | 253.007659 |
| CLogP | 0.527 |
| CLogS | -3.412 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 180.63 |
| Relative PSA | 0.39484 |
| PolarSurfaceArea | 90.45 |
| Druglikeness | 0.616 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (5Z)-3-amino-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-3-amino-5-[(4-chlorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one