Identifiers & Physical Properties
| CAS No. | 65418-98-6 |
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| Molecular formula | C16H4N8O17 |
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| Average molar mass | 580.2 g/mol |
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| Monoisotopic mass | 579.96944069 g/mol |
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| SMILES | O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2oc(-c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])c([N+](=O)[O-])c2[N+](=O)[O-])c([N+](=O)[O-])c1 |
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| InChIKey | XEWWDZVSMXLSSJ-UHFFFAOYSA-N |
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| PubChem CID | 12377580 |
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| DTXSID | DTXSID00495199 |
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Chemical & Physical Properties
| XLogP | 2.9 |
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| Topological polar surface area | 380 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 17 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 41 |
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| Formal charge | 0 |
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| Complexity | 1,000 |
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