Basic information
- Standard SMILES
O=C(NC1CN2CCC1CC2)c1cc2cc([N+](=O)[O-])ccc2o1- InChIKey
LGMSVIRMXFTRMS-UHFFFAOYSA-N- Molecular formula
- C16H17N3O4
- Average molar mass
- 315.32 g/mol
Names & identifiers
- Preferred name
- N-(1-azabicyclo[2.2.2]octan-3-yl)-5-nitro-1-benzofuran-2-carboxamide
- IUPAC
- N-(1-azabicyclo[2.2.2]octan-3-yl)-5-nitro-1-benzofuran-2-carboxamide
Database identifiers
- PubChem CID
- 72259174
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 486
Related reactions
3 records
Compound notes
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