| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine |
| MolecularFormula | C19H13N4OClS |
| Smiles | Clc1ccc(/C=N\Nc2nc(-c3cc(-c4ccccc4)no3)cs2)cc1 |
| InChI | InChI=1S/C19H13ClN4OS/c20-15-8-6-13(7-9-15)11-21-23-19-22-17(12-26-19)18-10-16(24-25-18)14-4-2-1-3-5-14/h1-12H,(H,22,23) |
| InChIK | HNGCOMQYIIGYMK-UHFFFAOYSA-N |
| TotalMolweight | 380.858 |
| Molweight | 380.858 |
| MonoisotopicMass | 380.049858 |
| CLogP | 7.0739 |
| CLogS | -5.963 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.33 |
| Relative PSA | 0.27627 |
| PolarSurfaceArea | 91.55 |
| Druglikeness | 5.0546 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-amine