8-Bromo-10H-benzo[4,5]furo[3,2-b]indole-1-carboxylic acid
Basic information
- Standard SMILES
O=C(O)c1cccc2c1[nH]c1c3cc(Br)ccc3oc21- InChIKey
XFGPVJJBSADMOF-UHFFFAOYSA-N- Molecular formula
- C15H8BrNO3
- Average molar mass
- 330.13 g/mol
Names & identifiers
- Preferred name
- 8-Bromo-10H-benzo[4,5]furo[3,2-b]indole-1-carboxylic acid
- IUPAC
- 8-bromo-10H-[1]benzofuro[3,2-b]indole-1-carboxylic acid
Names & synonyms
CHEMBL63748SCHEMBL2924509XFGPVJJBSADMOF-UHFFFAOYSA-N8-Bromo-10H-benzo[4,5]furo[3,2-b]indole-1-carboxylic acid
Database identifiers
- PubChem CID
- 9862310
- ChEMBL
CHEMBL63748- Nikkaji
- J1.571.985K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 418
Related reactions
2 records
Compound notes
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