12-AMINODODEC-4-ENOIC ACID

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

Structure

InChI Key HYAXMGTZOLISRL-UHFFFAOYSA-N
Smiles O=C(O)CCC=CCCCCCCCN
InChI
InChI=1/C12H23NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h4,6H,1-3,5,7-11,13H2,(H,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H23NO2
Molecular Weight 213.17
AlogP 2.71
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 63.32
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 70994-19-3
NORMAN SUSDAT
PubChem 3018061
CONTENTS