Basic information
- Standard SMILES
O=c1c2cccc([N+](=O)[O-])c2ccn1Cc1ccccc1- InChIKey
DQWFDDBRTLKKJJ-UHFFFAOYSA-N- Molecular formula
- C16H12N2O3
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.08479225
Names & identifiers
- Preferred name
- 2-benzyl-5-nitroisoquinolin-1(2H)-one
- IUPAC
- 2-benzyl-5-nitroisoquinolin-1-one
Names & synonyms
SCHEMBL4145238DQWFDDBRTLKKJJ-UHFFFAOYSA-N2-benzyl-5-nitro-2H-isoquinolin-1-one2-benzyl-5-nitroisoquinolin-1(2H)-one
Database identifiers
- PubChem CID
- 18444528
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 437
Related reactions
5 records
Compound notes
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