| MolName | (5Z)-2-amino-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C10H6N2O2I2S |
| Smiles | NC(S/C1=C\c2cc(I)cc(I)c2O)=NC1=O |
| InChI | InChI=1S/C10H6I2N2O2S/c11-5-1-4(8(15)6(12)3-5)2-7-9(16)14-10(13)17-7/h1-3,15H,(H2,13,14,16) |
| InChIK | DKMMLKFALAWXKC-UHFFFAOYSA-N |
| TotalMolweight | 472.036 |
| Molweight | 472.036 |
| MonoisotopicMass | 471.823944 |
| CLogP | 1.5265 |
| CLogS | -5.025 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 210.11 |
| Relative PSA | 0.33511 |
| PolarSurfaceArea | 100.98 |
| Druglikeness | 2.7613 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| 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 | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-2-amino-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-amino-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1,3-thiazol-4-one