| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine |
| MolecularFormula | C19H11N4OCl3S |
| Smiles | Clc1ccc(/C=N\Nc2nc(-c3cc(-c(ccc(Cl)c4)c4Cl)no3)cs2)cc1 |
| InChI | InChI=1S/C19H11Cl3N4OS/c20-12-3-1-11(2-4-12)9-23-25-19-24-17(10-28-19)18-8-16(26-27-18)14-6-5-13(21)7-15(14)22/h1-10H,(H,24,25) |
| InChIK | YIHVOZSSWRKFOR-UHFFFAOYSA-N |
| TotalMolweight | 449.748 |
| Molweight | 449.748 |
| MonoisotopicMass | 447.971912 |
| CLogP | 8.2859 |
| CLogS | -7.435 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 318.17 |
| Relative PSA | 0.24949 |
| PolarSurfaceArea | 91.55 |
| Druglikeness | 5.0546 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine