3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C8H5N3O4S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C8H5N3O4S2 |
| Smiles | [O-][N+](c1ccc(/C=N\N(C(CS2)=O)C2=S)o1)=O |
| InChI | InChI=1S/C8H5N3O4S2/c12-6-4-17-8(16)10(6)9-3-5-1-2-7(15-5)11(13)14/h1-3H,4H2 |
| InChIK | NZPMUIJCLMZTBP-UHFFFAOYSA-N |
| TotalMolweight | 271.277 |
| Molweight | 271.277 |
| MonoisotopicMass | 270.972147 |
| CLogP | -0.4397 |
| CLogS | -3.932 |
| H Acceptors | 7 |
| TotalSurfaceArea | 189.89 |
| Relative PSA | 0.62204 |
| PolarSurfaceArea | 149.02 |
| Druglikeness | 3.2072 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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