Basic information
- Standard SMILES
CSC(Oc1ccc2ncc(Br)cc2c1)C(=O)O- InChIKey
LCVGCOQRBJQFAV-UHFFFAOYSA-N- Molecular formula
- C12H10BrNO3S
- Average molar mass
- 328.18 g/mol
Names & identifiers
- Preferred name
- (3-Bromo-quinolin-6-yloxy)-methylsulfanyl-acetic acid
- IUPAC
- 2-(3-bromoquinolin-6-yl)oxy-2-methylsulfanylacetic acid
Names & synonyms
(3-Bromo-quinolin-6-yloxy)-methylsulfanyl-acetic acidSCHEMBL534741LCVGCOQRBJQFAV-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 66717844
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
5 records
Compound notes
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