Identifiers & Physical Properties
| CAS No. | 65418-96-4 |
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| Molecular formula | C16H6N6O13 |
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| Average molar mass | 490.25 g/mol |
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| Monoisotopic mass | 489.99928427 g/mol |
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| SMILES | O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccc(-c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 |
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| InChIKey | PRHKRGIYGFKUHD-UHFFFAOYSA-N |
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| PubChem CID | 12377579 |
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| DTXSID | DTXSID40495198 |
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Chemical & Physical Properties
| XLogP | 3.3 |
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| Topological polar surface area | 288 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 13 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 35 |
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| Formal charge | 0 |
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| Complexity | 779 |
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