(2E)-2-hydroxyimino-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide
Formula:C9H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-hydroxyimino-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide is a drug-like molecule.
| MolName | (2E)-2-hydroxyimino-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide |
| MolecularFormula | C9H11N3O3 |
| Smiles | NC(C(C(CC1C2N3)/C2=N\O)C1C3=O)=O |
| InChI | InChI=1S/C9H11N3O3/c10-8(13)4-2-1-3-5(4)9(14)11-6(3)7(2)12-15/h2-6,15H,1H2,(H2,10,13)(H,11,14)/b12-7+ |
| InChIK | QLZQOXYBWQJJJQ-KPKJPENVSA-N |
| TotalMolweight | 209.204 |
| Molweight | 209.204 |
| MonoisotopicMass | 209.080042 |
| CLogP | -1.1093 |
| CLogS | -1.605 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 134.06 |
| Relative PSA | 0.5775 |
| PolarSurfaceArea | 104.78 |
| Druglikeness | 4.1563 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 5 |
| Sp3Atoms | 7 |
| Amides | 2 |
| StereoCon | unknown chirality |
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1 - (2E)-2-hydroxyimino-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide | 2 - (2E)-2-hydroxyimino-5-oxo-4-azatricyclo[4.2.1.03,7]nonane-9-carboxamide
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