(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetate
Formula:C5H2NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetate is a drug-like molecule.
| MolName | (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetate |
| MolecularFormula | C5H2NO4S |
| Smiles | [O-]C(/C=C(/C(N1)=O)\SC1=O)=O |
| InChI | InChI=1S/C5H3NO4S/c7-3(8)1-2-4(9)6-5(10)11-2/h1H,(H,7,8)(H,6,9,10)/p-1 |
| InChIK | GZMAUGAAAMRIDY-UHFFFAOYSA-M |
| TotalMolweight | 172.14 |
| Molweight | 172.14 |
| MonoisotopicMass | 171.970454 |
| CLogP | -2.9793 |
| CLogS | -1.396 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 114.44 |
| Relative PSA | 0.71959 |
| PolarSurfaceArea | 111.6 |
| Druglikeness | 3.2584 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetate | 2 - (2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)acetate
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