| MolName | (5E)-2-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one |
| MolecularFormula | C14H9NOS2 |
| Smiles | O=C1N=C(c2ccccc2)S/C1=C/c1cccs1 |
| InChI | InChI=1S/C14H9NOS2/c16-13-12(9-11-7-4-8-17-11)18-14(15-13)10-5-2-1-3-6-10/h1-9H |
| InChIK | NWASVBKZJPXEAH-UHFFFAOYSA-N |
| TotalMolweight | 271.363 |
| Molweight | 271.363 |
| MonoisotopicMass | 271.012554 |
| CLogP | 3.8669 |
| CLogS | -4.892 |
| H Acceptors | 2 |
| TotalSurfaceArea | 198.38 |
| Relative PSA | 0.31455 |
| PolarSurfaceArea | 82.97 |
| Druglikeness | 2.8512 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (5E)-2-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one | 2 - (5E)-2-phenyl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one