| MolName | (4E)-4-[(2-chlorophenyl)hydrazinylidene]-5-methylidene-2-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-3-one |
| MolecularFormula | C19H14N5OClS |
| Smiles | C=C(/C(/C1=O)=N\Nc(cccc2)c2Cl)NN1c1nc(-c2ccccc2)cs1 |
| InChI | InChI=1S/C19H14ClN5OS/c1-12-17(23-22-15-10-6-5-9-14(15)20)18(26)25(24-12)19-21-16(11-27-19)13-7-3-2-4-8-13/h2-11,22,24H,1H2 |
| InChIK | VGCWKCFAMIASHC-UHFFFAOYSA-N |
| TotalMolweight | 395.873 |
| Molweight | 395.873 |
| MonoisotopicMass | 395.060757 |
| CLogP | 5.1636 |
| CLogS | -5.269 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 286.09 |
| Relative PSA | 0.28785 |
| PolarSurfaceArea | 97.86 |
| Druglikeness | 2.9586 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (4E)-4-[(2-chlorophenyl)hydrazinylidene]-5-methylidene-2-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-3-one | 2 - (4E)-4-[(2-chlorophenyl)hydrazinylidene]-5-methylidene-2-(4-phenyl-1,3-thiazol-2-yl)pyrazolidin-3-one