(5E)-5-[(3-iodophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
Formula:C16H10NOIS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-iodophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5E)-5-[(3-iodophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one |
| MolecularFormula | C16H10NOIS |
| Smiles | O=C1N=C(c2ccccc2)S/C1=C/c1cccc(I)c1 |
| InChI | InChI=1S/C16H10INOS/c17-13-8-4-5-11(9-13)10-14-15(19)18-16(20-14)12-6-2-1-3-7-12/h1-10H |
| InChIK | BJJPSEBDGMLQTB-UHFFFAOYSA-N |
| TotalMolweight | 391.227 |
| Molweight | 391.227 |
| MonoisotopicMass | 390.952782 |
| CLogP | 4.4374 |
| CLogS | -5.898 |
| H Acceptors | 2 |
| TotalSurfaceArea | 228.72 |
| Relative PSA | 0.18381 |
| PolarSurfaceArea | 54.73 |
| Druglikeness | 2.7725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (5E)-5-[(3-iodophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one | 2 - (5E)-5-[(3-iodophenyl)methylidene]-2-phenyl-1,3-thiazol-4-one
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