3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C11H8N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C11H8N2O3S2 |
| Smiles | O=C(CSC1=S)N1/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C11H8N2O3S2/c14-10-5-18-11(17)13(10)12-4-7-1-2-8-9(3-7)16-6-15-8/h1-4H,5-6H2 |
| InChIK | NOORMCBEKFPBBR-UHFFFAOYSA-N |
| TotalMolweight | 280.328 |
| Molweight | 280.328 |
| MonoisotopicMass | 279.997633 |
| CLogP | 1.0532 |
| CLogS | -3.976 |
| H Acceptors | 5 |
| TotalSurfaceArea | 196.79 |
| Relative PSA | 0.47558 |
| PolarSurfaceArea | 108.52 |
| Druglikeness | 3.6763 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| StereoCon |
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1 - 3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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