| MolName | (5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H8NO2BrS2 |
| Smiles | O=C(/C(/S1)=C/c2ccc(-c3cccc(Br)c3)o2)NC1=S |
| InChI | InChI=1S/C14H8BrNO2S2/c15-9-3-1-2-8(6-9)11-5-4-10(18-11)7-12-13(17)16-14(19)20-12/h1-7H,(H,16,17,19) |
| InChIK | BULCEYFQKFSZFC-UHFFFAOYSA-N |
| TotalMolweight | 366.259 |
| Molweight | 366.259 |
| MonoisotopicMass | 364.91798 |
| CLogP | 2.8083 |
| CLogS | -5.794 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 231.96 |
| Relative PSA | 0.36256 |
| PolarSurfaceArea | 99.63 |
| Druglikeness | 1.596 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[5-(3-bromophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one