(5Z)-5-[(2-chlorophenyl)methylidene]-3-[(Z)-(2-chlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H10N2OCl2S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[(2-chlorophenyl)methylidene]-3-[(Z)-(2-chlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(Z)-(2-chlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H10N2OCl2S2 |
| Smiles | O=C(/C(/SC1=S)=C/c(cccc2)c2Cl)N1/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C17H10Cl2N2OS2/c18-13-7-3-1-5-11(13)9-15-16(22)21(17(23)24-15)20-10-12-6-2-4-8-14(12)19/h1-10H |
| InChIK | WUNQDMMWCMBXTO-UHFFFAOYSA-N |
| TotalMolweight | 393.317 |
| Molweight | 393.317 |
| MonoisotopicMass | 391.961157 |
| CLogP | 4.2672 |
| CLogS | -6.567 |
| H Acceptors | 3 |
| TotalSurfaceArea | 278.08 |
| Relative PSA | 0.26464 |
| PolarSurfaceArea | 90.06 |
| Druglikeness | 4.8666 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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-[(2-chlorophenyl)methylidene]-3-[(Z)-(2-chlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(2-chlorophenyl)methylidene]-3-[(Z)-(2-chlorophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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