Basic information
- Standard SMILES
CC(NC(=O)c1nc(Br)c2ccccc2c1O)C(=O)O- InChIKey
DOVSRXRKULXUFT-UHFFFAOYSA-N- Molecular formula
- C13H11BrN2O4
- Average molar mass
- 339.14 g/mol
Names & identifiers
- Preferred name
- 2-[(1-Bromo-4-hydroxyisoquinoline-3-carbonyl)amino]propanoic acid
- IUPAC
- 2-[(1-bromo-4-hydroxyisoquinoline-3-carbonyl)amino]propanoic acid
Names & synonyms
SCHEMBL522942
Database identifiers
- PubChem CID
- 86014544
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Related reactions
3 records
Compound notes
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