| MolName | (5Z)-5-[[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C20H15N2O2FS2 |
| Smiles | O=C(/C(/S1)=C/c2cn(CCOc(cc3)ccc3F)c3c2cccc3)NC1=S |
| InChI | InChI=1S/C20H15FN2O2S2/c21-14-5-7-15(8-6-14)25-10-9-23-12-13(16-3-1-2-4-17(16)23)11-18-19(24)22-20(26)27-18/h1-8,11-12H,9-10H2,(H,22,24,26) |
| InChIK | OOBRLIOZAZPDGT-UHFFFAOYSA-N |
| TotalMolweight | 398.481 |
| Molweight | 398.481 |
| MonoisotopicMass | 398.055896 |
| CLogP | 2.6919 |
| CLogS | -4.957 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 291.31 |
| Relative PSA | 0.29817 |
| PolarSurfaceArea | 100.65 |
| Druglikeness | 3.1567 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one