| MolName | (5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H19N2O2ClS2 |
| Smiles | O=C1N(Cc(cccc2)c2Cl)c(cccc2)c2/C1=C(\C(N1C2CCCC2)=O)/SC1=S |
| InChI | InChI=1S/C23H19ClN2O2S2/c24-17-11-5-1-7-14(17)13-25-18-12-6-4-10-16(18)19(21(25)27)20-22(28)26(23(29)30-20)15-8-2-3-9-15/h1,4-7,10-12,15H,2-3,8-9,13H2 |
| InChIK | WQWSHERQAZUPRF-UHFFFAOYSA-N |
| TotalMolweight | 455.001 |
| Molweight | 455.001 |
| MonoisotopicMass | 454.057645 |
| CLogP | 3.3923 |
| CLogS | -6.094 |
| H Acceptors | 4 |
| TotalSurfaceArea | 318.46 |
| Relative PSA | 0.24703 |
| PolarSurfaceArea | 98.01 |
| Druglikeness | 2.0939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one