Basic information
- Standard SMILES
COc1ccc(-c2cncc3cccc([N+](=O)[O-])c23)c(O)c1OC- InChIKey
LJMXFFKAEUSHCG-UHFFFAOYSA-N- Molecular formula
- C17H14N2O5
- Average molar mass
- 326.3 g/mol
- Monoisotopic mass
- 326.09027155
Names & identifiers
- Preferred name
- 2,3-Dimethoxy-6-(5-nitroisoquinolin-4-yl)phenol
- IUPAC
- 2,3-dimethoxy-6-(5-nitroisoquinolin-4-yl)phenol
Names & synonyms
SCHEMBL3676399LJMXFFKAEUSHCG-UHFFFAOYSA-N2,3-Dimethoxy-6-(5-nitroisoquinolin-4-yl)phenol
Database identifiers
- PubChem CID
- 12971920
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 443
Related reactions
7 records
Compound notes
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