| MolName | N-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide |
| MolecularFormula | C17H12N2O4S |
| Smiles | Oc(cccc1)c1C(NN(C(/C(/S1)=C/c2ccccc2)=O)C1=O)=O |
| InChI | InChI=1S/C17H12N2O4S/c20-13-9-5-4-8-12(13)15(21)18-19-16(22)14(24-17(19)23)10-11-6-2-1-3-7-11/h1-10,20H,(H,18,21) |
| InChIK | JKCAACOFRCYNGP-UHFFFAOYSA-N |
| TotalMolweight | 340.358 |
| Molweight | 340.358 |
| MonoisotopicMass | 340.051778 |
| CLogP | 1.4707 |
| CLogS | -4.037 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 243.08 |
| Relative PSA | 0.34853 |
| PolarSurfaceArea | 112.01 |
| Druglikeness | 4.3021 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide | 2 - N-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide