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Basic information
- Standard SMILES
O=C1NC(=O)C2(CCC(O)C2)c2cc[n+]([O-])cc21- InChIKey
KEVNMSQFSQVFJG-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.07970687
Names & identifiers
- Preferred name
- Sesbanine N7-oxide
- IUPAC
- 3'-hydroxy-7-oxidospiro[2,7-naphthyridin-7-ium-4,1'-cyclopentane]-1,3-dione
Names & synonyms
NSC339666Sesbanine N7-oxideCHEMBL2007294SESBANIN N7-OXIDE (RACEMIC)NSC-339666NCI60_003015
Database identifiers
- PubChem CID
- 334451
- ChEMBL
CHEMBL2007294
Properties
Computed structural propertiesFilling in
- XLogP
- -1.3
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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