Basic information
- Standard SMILES
COc1ccc2cncc(CC(=O)O)c2c1Cl- InChIKey
XCJMMVCKDPLZPO-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO3
- Average molar mass
- 251.66 g/mol
- Monoisotopic mass
- 251.0349209
Names & identifiers
- Preferred name
- (5-Chloro-6-methoxy-isoquinolin-4-yl)-acetic acid
- IUPAC
- 2-(5-chloro-6-methoxyisoquinolin-4-yl)acetic acid
Names & synonyms
SCHEMBL4810315XCJMMVCKDPLZPO-UHFFFAOYSA-N(5-chloro-6-methoxy-isoquinolin-4-yl)-acetic acid
Database identifiers
- PubChem CID
- 22226541
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
4 records
Compound notes
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