(5E)-5-[(3-bromophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H10NOBrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-bromophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(3-bromophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H10NOBrS2 |
| Smiles | O=C(/C(/SC1=S)=C\c2cccc(Br)c2)N1c1ccccc1 |
| InChI | InChI=1S/C16H10BrNOS2/c17-12-6-4-5-11(9-12)10-14-15(19)18(16(20)21-14)13-7-2-1-3-8-13/h1-10H |
| InChIK | LAPVWKFVFJODCR-UHFFFAOYSA-N |
| TotalMolweight | 376.297 |
| Molweight | 376.297 |
| MonoisotopicMass | 374.938715 |
| CLogP | 3.6175 |
| CLogS | -5.817 |
| H Acceptors | 2 |
| TotalSurfaceArea | 241.11 |
| Relative PSA | 0.25748 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 0.97696 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[(3-bromophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(3-bromophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
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