| MolName | [(Z)-[amino-(2,6-dichlorophenyl)methylidene]amino] 3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate |
| MolecularFormula | C17H9N3O2Cl4S |
| Smiles | N/C(/c(c(Cl)ccc1)c1Cl)=N\OC(c1csnc1-c(c(Cl)ccc1)c1Cl)=O |
| InChI | InChI=1S/C17H9Cl4N3O2S/c18-9-3-1-4-10(19)13(9)15-8(7-27-24-15)17(25)26-23-16(22)14-11(20)5-2-6-12(14)21/h1-7H,(H2,22,23) |
| InChIK | KMSNNTIXNDGART-UHFFFAOYSA-N |
| TotalMolweight | 461.155 |
| Molweight | 461.155 |
| MonoisotopicMass | 458.916955 |
| CLogP | 6.522 |
| CLogS | -6.498 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 308.4 |
| Relative PSA | 0.26313 |
| PolarSurfaceArea | 105.81 |
| Druglikeness | -1.0315 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-[amino-(2,6-dichlorophenyl)methylidene]amino] 3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate | 2 - [(Z)-[amino-(2,6-dichlorophenyl)methylidene]amino] 3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate