| MolName | 2-[2-chloro-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide |
| MolecularFormula | C12H9N2O4ClS |
| Smiles | NC(COc(ccc(/C=C(/C(N1)=O)\SC1=O)c1)c1Cl)=O |
| InChI | InChI=1S/C12H9ClN2O4S/c13-7-3-6(1-2-8(7)19-5-10(14)16)4-9-11(17)15-12(18)20-9/h1-4H,5H2,(H2,14,16)(H,15,17,18) |
| InChIK | DZKGYSLHIZPEGR-UHFFFAOYSA-N |
| TotalMolweight | 312.732 |
| Molweight | 312.732 |
| MonoisotopicMass | 311.997155 |
| CLogP | 0.7576 |
| CLogS | -3.754 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 214.37 |
| Relative PSA | 0.43542 |
| PolarSurfaceArea | 123.79 |
| Druglikeness | 3.4983 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-chloro-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide | 2 - 2-[2-chloro-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide