(2E)-3-benzyl-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one
Formula:C17H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-3-benzyl-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (2E)-3-benzyl-2-[(Z)-benzylidenehydrazinylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C17H15N3OS |
| Smiles | O=C(CS1)N(Cc2ccccc2)/C1=N\N=C/c1ccccc1 |
| InChI | InChI=1S/C17H15N3OS/c21-16-13-22-17(19-18-11-14-7-3-1-4-8-14)20(16)12-15-9-5-2-6-10-15/h1-11H,12-13H2 |
| InChIK | HQQXYIAFKYCIRT-UHFFFAOYSA-N |
| TotalMolweight | 309.392 |
| Molweight | 309.392 |
| MonoisotopicMass | 309.093582 |
| CLogP | 4.2397 |
| CLogS | -4.472 |
| H Acceptors | 4 |
| TotalSurfaceArea | 240.31 |
| Relative PSA | 0.23761 |
| PolarSurfaceArea | 70.33 |
| Druglikeness | 5.1229 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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