NICOTINE 1-N-OXIDE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8WQ7L5T6TJ

Structure

InChI Key RWFBQHICRCUQJJ-UHFFFAOYSA-N
Smiles C[N+]1([O-])CCCC1c2cccnc2
InChI
InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N2O1
Molecular Weight 178.11
AlogP 1.86
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 35.95
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 63551-14-4
NORMAN SUSDAT
FDA SRS 8WQ7L5T6TJ
CONTENTS