(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C21H10NO2Cl2F3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C21H10NO2Cl2F3S2 |
| Smiles | O=C(/C(/SC1=S)=C\c2ccc(-c(cc3)cc(Cl)c3Cl)o2)N1c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C21H10Cl2F3NO2S2/c22-15-6-4-11(8-16(15)23)17-7-5-14(29-17)10-18-19(28)27(20(30)31-18)13-3-1-2-12(9-13)21(24,25)26/h1-10H |
| InChIK | BXJQEAMAXHTLDC-UHFFFAOYSA-N |
| TotalMolweight | 500.347 |
| Molweight | 500.347 |
| MonoisotopicMass | 498.948207 |
| CLogP | 5.8915 |
| CLogS | -8.693 |
| H Acceptors | 3 |
| TotalSurfaceArea | 332.23 |
| Relative PSA | 0.22933 |
| PolarSurfaceArea | 90.84 |
| Druglikeness | -3.3629 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
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