| MolName | (NZ)-N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine |
| MolecularFormula | C7H7NO3S2 |
| Smiles | O/N=C(/CC1)\c(ccs2)c2S1(=O)=O |
| InChI | InChI=1S/C7H7NO3S2/c9-8-6-2-4-13(10,11)7-5(6)1-3-12-7/h1,3,9H,2,4H2 |
| InChIK | KXOYVFLDMXQWAI-UHFFFAOYSA-N |
| TotalMolweight | 217.269 |
| Molweight | 217.269 |
| MonoisotopicMass | 216.986734 |
| CLogP | 1.075 |
| CLogS | -3.057 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 141.12 |
| Relative PSA | 0.52119 |
| PolarSurfaceArea | 103.35 |
| Druglikeness | -2.9691 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - (NZ)-N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine | 2 - (NZ)-N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine