(5Z)-5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C17H9NOClF3S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C17H9NOClF3S2 |
| Smiles | O=C(/C(/SC1=S)=C/c(cccc2)c2Cl)N1c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C17H9ClF3NOS2/c18-13-7-2-1-4-10(13)8-14-15(23)22(16(24)25-14)12-6-3-5-11(9-12)17(19,20)21/h1-9H |
| InChIK | SDWSIYOJXCPDCS-UHFFFAOYSA-N |
| TotalMolweight | 399.843 |
| Molweight | 399.843 |
| MonoisotopicMass | 398.976615 |
| CLogP | 4.3466 |
| CLogS | -6.497 |
| H Acceptors | 2 |
| TotalSurfaceArea | 267.36 |
| Relative PSA | 0.2322 |
| PolarSurfaceArea | 77.7 |
| Druglikeness | -4.3604 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(2-chlorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
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