(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H8N2OCl4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H8N2OCl4S2 |
| Smiles | O=C(/C(/SC1=S)=C/c(c(Cl)ccc2)c2Cl)N1/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C17H8Cl4N2OS2/c18-11-3-1-4-12(19)9(11)7-15-16(24)23(17(25)26-15)22-8-10-13(20)5-2-6-14(10)21/h1-8H |
| InChIK | ZHMCLJBWTSYGIQ-UHFFFAOYSA-N |
| TotalMolweight | 462.208 |
| Molweight | 462.208 |
| MonoisotopicMass | 459.883211 |
| CLogP | 5.4792 |
| CLogS | -8.039 |
| H Acceptors | 3 |
| TotalSurfaceArea | 308.92 |
| Relative PSA | 0.23822 |
| PolarSurfaceArea | 90.06 |
| Druglikeness | 4.8666 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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