| MolName | (5Z)-3-[(4-fluoroanilino)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C17H12N2O2F2S |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2F)N(CNc(cc2)ccc2F)C1=O |
| InChI | InChI=1S/C17H12F2N2O2S/c18-12-3-1-11(2-4-12)9-15-16(22)21(17(23)24-15)10-20-14-7-5-13(19)6-8-14/h1-9,20H,10H2 |
| InChIK | ZFRJBEJMVYQTNC-UHFFFAOYSA-N |
| TotalMolweight | 346.356 |
| Molweight | 346.356 |
| MonoisotopicMass | 346.058754 |
| CLogP | 3.1053 |
| CLogS | -5.236 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 245.44 |
| Relative PSA | 0.23867 |
| PolarSurfaceArea | 74.71 |
| Druglikeness | 2.4471 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.66667 |
| 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 | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-3-[(4-fluoroanilino)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-3-[(4-fluoroanilino)methyl]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidine-2,4-dione