| MolName | N-[(8Z)-4-hydroxy-8-hydroxyimino-6-thiabicyclo[3.2.1]octan-1-yl]benzamide |
| MolecularFormula | C14H16N2O3S |
| Smiles | OC(CC1)C(/C2=N\O)SCC12NC(c1ccccc1)=O |
| InChI | InChI=1S/C14H16N2O3S/c17-10-6-7-14(8-20-11(10)12(14)16-19)15-13(18)9-4-2-1-3-5-9/h1-5,10-11,17,19H,6-8H2,(H,15,18) |
| InChIK | ZRAMYULQCSXFBX-UHFFFAOYSA-N |
| TotalMolweight | 292.358 |
| Molweight | 292.358 |
| MonoisotopicMass | 292.088163 |
| CLogP | 1.6348 |
| CLogS | -3.011 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 205.32 |
| Relative PSA | 0.38817 |
| PolarSurfaceArea | 107.22 |
| Druglikeness | 3.1837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | unknown chirality |
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1 - N-[(8Z)-4-hydroxy-8-hydroxyimino-6-thiabicyclo[3.2.1]octan-1-yl]benzamide | 2 - N-[(8Z)-4-hydroxy-8-hydroxyimino-6-thiabicyclo[3.2.1]octan-1-yl]benzamide