2-chloro-N-[(5E)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Formula:C17H10N2O2ClFS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-chloro-N-[(5E)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is a drug-like molecule.
| MolName | 2-chloro-N-[(5E)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide |
| MolecularFormula | C17H10N2O2ClFS2 |
| Smiles | O=C(c(cccc1)c1Cl)NN(C(/C(/S1)=C\c2cc(F)ccc2)=O)C1=S |
| InChI | InChI=1S/C17H10ClFN2O2S2/c18-13-7-2-1-6-12(13)15(22)20-21-16(23)14(25-17(21)24)9-10-4-3-5-11(19)8-10/h1-9H,(H,20,22) |
| InChIK | YNKIDOIXJGVBFJ-UHFFFAOYSA-N |
| TotalMolweight | 392.861 |
| Molweight | 392.861 |
| MonoisotopicMass | 391.985623 |
| CLogP | 2.178 |
| CLogS | -5.734 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.46 |
| Relative PSA | 0.31661 |
| PolarSurfaceArea | 106.8 |
| Druglikeness | 2.6631 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| 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 | 2 |
| StereoCon |
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1 - 2-chloro-N-[(5E)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide | 2 - 2-chloro-N-[(5E)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
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