(5E)-3-(3-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C20H11NO2Cl2S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-3-(3-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-3-(3-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C20H11NO2Cl2S2 |
| Smiles | O=C(/C(/SC1=S)=C\c2ccc(-c(cc3)ccc3Cl)o2)N1c1cccc(Cl)c1 |
| InChI | InChI=1S/C20H11Cl2NO2S2/c21-13-6-4-12(5-7-13)17-9-8-16(25-17)11-18-19(24)23(20(26)27-18)15-3-1-2-14(22)10-15/h1-11H |
| InChIK | BWJCGMLRNXTTJU-UHFFFAOYSA-N |
| TotalMolweight | 432.35 |
| Molweight | 432.35 |
| MonoisotopicMass | 430.960823 |
| CLogP | 5.0432 |
| CLogS | -7.915 |
| H Acceptors | 3 |
| TotalSurfaceArea | 302.77 |
| Relative PSA | 0.25164 |
| PolarSurfaceArea | 90.84 |
| Druglikeness | 3.8271 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-(3-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-(3-chlorophenyl)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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