| MolName | (5Z)-5-[[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H10NO2Cl2FS2 |
| Smiles | O=C(/C(/S1)=C/c(cc2Cl)cc(Cl)c2OCc2cc(F)ccc2)NC1=S |
| InChI | InChI=1S/C17H10Cl2FNO2S2/c18-12-5-10(7-14-16(22)21-17(24)25-14)6-13(19)15(12)23-8-9-2-1-3-11(20)4-9/h1-7H,8H2,(H,21,22,24) |
| InChIK | LAWSUPXISCHDTD-UHFFFAOYSA-N |
| TotalMolweight | 414.307 |
| Molweight | 414.307 |
| MonoisotopicMass | 412.951401 |
| CLogP | 3.8051 |
| CLogS | -6.627 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 284.59 |
| Relative PSA | 0.28107 |
| PolarSurfaceArea | 95.72 |
| Druglikeness | 0.90832 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one