(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H8N2OCl4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H8N2OCl4S2 |
| Smiles | O=C(/C(/SC1=S)=C/c(cc2)cc(Cl)c2Cl)N1/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C17H8Cl4N2OS2/c18-11-3-1-9(5-13(11)20)7-15-16(24)23(17(25)26-15)22-8-10-2-4-12(19)14(21)6-10/h1-8H |
| InChIK | QLNRPUOTMYCBMV-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 | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| 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 |
| StereoCon |
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1 - (5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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