(4E,8E)-12-AMINODODECA-4,8-DIENOIC ACID

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

Structure

InChI Key DBYBTIHLLFVDFH-GGWOSOGESA-N
Smiles O=C(O)CCC=CCCC=CCCCN
InChI
InChI=1/C12H21NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h3-6H,1-2,7-11,13H2,(H,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H21NO2
Molecular Weight 211.16
AlogP 2.48
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 63.32
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 55348-78-2
NORMAN SUSDAT
PubChem 6365534
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