Identifiers & Physical Properties
| CAS No. | 65992-09-8 |
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| Molecular formula | C16H8N8O15 |
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| Average molar mass | 552.28 g/mol |
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| Monoisotopic mass | 552.01091158 g/mol |
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| SMILES | COc1c([N+](=O)[O-])cc([N+](=O)[O-])c(-c2nnc(-c3c([N+](=O)[O-])cc([N+](=O)[O-])c(OC)c3[N+](=O)[O-])o2)c1[N+](=O)[O-] |
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| InChIKey | GQBGYCZGUMIQKN-UHFFFAOYSA-N |
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| PubChem CID | 12377582 |
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| DTXSID | DTXSID50495200 |
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Chemical & Physical Properties
| XLogP | 2 |
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| Topological polar surface area | 332 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 17 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 39 |
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| Formal charge | 0 |
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| Complexity | 920 |
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