(5Z)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C10H6N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-[(2-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C10H6N2O5S |
| Smiles | [O-][N+](c1cccc(/C=C(/C(N2)=O)\SC2=O)c1O)=O |
| InChI | InChI=1S/C10H6N2O5S/c13-8-5(2-1-3-6(8)12(16)17)4-7-9(14)11-10(15)18-7/h1-4,13H,(H,11,14,15) |
| InChIK | XGYPLQYDIPBIBU-UHFFFAOYSA-N |
| TotalMolweight | 266.233 |
| Molweight | 266.233 |
| MonoisotopicMass | 265.999743 |
| CLogP | 0.2221 |
| CLogS | -3.313 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 178.94 |
| Relative PSA | 0.55074 |
| PolarSurfaceArea | 137.52 |
| Druglikeness | -2.0573 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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