(5E)-3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H7NO2FIS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H7NO2FIS2 |
| Smiles | O=C(/C(/SC1=S)=C\c(o2)ccc2I)N1c1cc(F)ccc1 |
| InChI | InChI=1S/C14H7FINO2S2/c15-8-2-1-3-9(6-8)17-13(18)11(21-14(17)20)7-10-4-5-12(16)19-10/h1-7H |
| InChIK | JBPMGHWANSIARB-UHFFFAOYSA-N |
| TotalMolweight | 431.245 |
| Molweight | 431.245 |
| MonoisotopicMass | 430.894695 |
| CLogP | 2.7163 |
| CLogS | -5.758 |
| H Acceptors | 3 |
| TotalSurfaceArea | 244.8 |
| Relative PSA | 0.31123 |
| PolarSurfaceArea | 90.84 |
| Druglikeness | 2.8793 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-(3-fluorophenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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