(5E)-5-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C22H10NO2ClF6S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5E)-5-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C22H10NO2ClF6S2 |
| Smiles | O=C(/C(/SC1=S)=C\c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H10ClF6NO2S2/c23-14-1-3-15(4-2-14)30-19(31)18(34-20(30)33)10-16-5-6-17(32-16)11-7-12(21(24,25)26)9-13(8-11)22(27,28)29/h1-10H |
| InChIK | QWECIYAUXXVCJB-UHFFFAOYSA-N |
| TotalMolweight | 533.899 |
| Molweight | 533.899 |
| MonoisotopicMass | 532.974564 |
| CLogP | 6.1338 |
| CLogS | -8.735 |
| H Acceptors | 3 |
| TotalSurfaceArea | 346.27 |
| Relative PSA | 0.22003 |
| PolarSurfaceArea | 90.84 |
| Druglikeness | -3.3629 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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