(5E)-3-(2-fluorophenyl)-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H9NO2FIS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-(2-fluorophenyl)-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-(2-fluorophenyl)-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H9NO2FIS2 |
| Smiles | Oc(ccc(/C=C(\C(N1c(cccc2)c2F)=O)/SC1=S)c1)c1I |
| InChI | InChI=1S/C16H9FINO2S2/c17-10-3-1-2-4-12(10)19-15(21)14(23-16(19)22)8-9-5-6-13(20)11(18)7-9/h1-8,20H |
| InChIK | QPUSVNLMWIOXND-UHFFFAOYSA-N |
| TotalMolweight | 457.282 |
| Molweight | 457.282 |
| MonoisotopicMass | 456.910345 |
| CLogP | 3.0845 |
| CLogS | -6.017 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 261.46 |
| Relative PSA | 0.28754 |
| PolarSurfaceArea | 97.93 |
| Druglikeness | 1.9393 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-3-(2-fluorophenyl)-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-(2-fluorophenyl)-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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