(5E)-3-[(2-chloroanilino)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C17H12N2O2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(2-chloroanilino)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(2-chloroanilino)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H12N2O2ClFS |
| Smiles | O=C(/C(/S1)=C\c(cc2)ccc2F)N(CNc(cccc2)c2Cl)C1=O |
| InChI | InChI=1S/C17H12ClFN2O2S/c18-13-3-1-2-4-14(13)20-10-21-16(22)15(24-17(21)23)9-11-5-7-12(19)8-6-11/h1-9,20H,10H2 |
| InChIK | YHFQOGBPRRJCAJ-UHFFFAOYSA-N |
| TotalMolweight | 362.811 |
| Molweight | 362.811 |
| MonoisotopicMass | 362.029203 |
| CLogP | 3.6105 |
| CLogS | -5.658 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 254.51 |
| Relative PSA | 0.23017 |
| PolarSurfaceArea | 74.71 |
| Druglikeness | 2.489 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-[(2-chloroanilino)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5E)-3-[(2-chloroanilino)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione
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