| MolName | (5Z)-3-(4-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C25H16N2OClFS2 |
| Smiles | O=C(/C(/SC1=S)=C/c2cn(Cc(cccc3)c3F)c3c2cccc3)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C25H16ClFN2OS2/c26-18-9-11-19(12-10-18)29-24(30)23(32-25(29)31)13-17-15-28(22-8-4-2-6-20(17)22)14-16-5-1-3-7-21(16)27/h1-13,15H,14H2 |
| InChIK | KMJRCZGVZKEZLO-UHFFFAOYSA-N |
| TotalMolweight | 478.998 |
| Molweight | 478.998 |
| MonoisotopicMass | 478.037658 |
| CLogP | 5.1288 |
| CLogS | -7.011 |
| H Acceptors | 3 |
| TotalSurfaceArea | 341.57 |
| Relative PSA | 0.20186 |
| PolarSurfaceArea | 82.63 |
| Druglikeness | 2.6354 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-(4-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(4-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one