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CHEBI:752410 - rolafagrel

Default Structure
ChEBI IDCHEBI:752410
ChEBI Namerolafagrel
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaC14H12N2O2
Net Charge0
Average Mass240.262
Monoisotopic Mass240.08988
SMILESO=C(O)c1ccc2c(c1)C=C(n1ccnc1)CC2
InChIInChI=1S/C14H12N2O2/c17-14(18)11-2-1-10-3-4-13(8-12(10)7-11)16-6-5-15-9-16/h1-2,5-9H,3-4H2,(H,17,18)
InChIKeyDQEDSIVMYUUZCK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
rolafagrel (CHEBI:752410) is a naphthoic acid (CHEBI:25483)
INN  Source
rolafagrelWHO MedNet