| MolName | (5Z)-5-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C27H18NO2FS2 |
| Smiles | O=C(/C(/SC1=S)=C/c(c2ccccc2cc2)c2OCc(cc2)ccc2F)N1c1ccccc1 |
| InChI | InChI=1S/C27H18FNO2S2/c28-20-13-10-18(11-14-20)17-31-24-15-12-19-6-4-5-9-22(19)23(24)16-25-26(30)29(27(32)33-25)21-7-2-1-3-8-21/h1-16H,17H2 |
| InChIK | ZIBUPZNGDUJBHX-UHFFFAOYSA-N |
| TotalMolweight | 471.575 |
| Molweight | 471.575 |
| MonoisotopicMass | 471.076297 |
| CLogP | 5.5356 |
| CLogS | -8.244 |
| H Acceptors | 3 |
| TotalSurfaceArea | 346.95 |
| Relative PSA | 0.20775 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 1.2501 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one