bmse011401 NMR Quality Control Of Fragment Libraries For Screening at BMRB

N-hydroxyquinoline-2-carboxamide

N-hydroxyquinoline-2-carboxamide bmse011401 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Graphical representations:

View large 3D structure

Molecular Formula: C10H8N2O2

Natural Isotopic Abundance Mass: 188.18271999999993

Mono-Isotopic Molecular Masses:

C12N14: 188.058577506
C13N14: 198.09212588600005
C12N15: 190.05264729200002
C13N15: 200.08619567200006

InChI string: InChI=1S/C10H8N2O2/c13-10(12-14)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,14H,(H,12,13)

IUPAC: N-hydroxyquinoline-2-carboxamide

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)