1',2'-DIHYDRO-4'-METHYL-6'-OXIDO-2'-OXO-1,3'-BIPYRIDINIUM

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key HBAWDSOJSIUVDR-UHFFFAOYSA-O
Smiles CC1=CC(=O)NC(=O)[C-]1[n+]2ccccc2
InChI
InChI=1S/C11H10N2O2/c1-8-7-9(14)12-11(15)10(8)13-5-3-2-4-6-13/h2-7,10H,1H3/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H11N2O2
Molecular Weight 203.08
AlogP 0.96
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 53.54
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 68532-86-5
NORMAN SUSDAT
CONTENTS