| MolName | (5E)-3-(3-chlorophenyl)-5-[(E)-3-(2-chlorophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H11NOCl2S2 |
| Smiles | O=C(/C(/SC1=S)=C\C=C\c(cccc2)c2Cl)N1c1cc(Cl)ccc1 |
| InChI | InChI=1S/C18H11Cl2NOS2/c19-13-7-4-8-14(11-13)21-17(22)16(24-18(21)23)10-3-6-12-5-1-2-9-15(12)20/h1-11H |
| InChIK | OZMVDOZKUSZYAI-UHFFFAOYSA-N |
| TotalMolweight | 392.329 |
| Molweight | 392.329 |
| MonoisotopicMass | 390.965908 |
| CLogP | 4.7609 |
| CLogS | -6.767 |
| H Acceptors | 2 |
| TotalSurfaceArea | 279.82 |
| Relative PSA | 0.22186 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | 3.0391 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-(3-chlorophenyl)-5-[(E)-3-(2-chlorophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-(3-chlorophenyl)-5-[(E)-3-(2-chlorophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one