Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00912619

Structure

InChI Key LKRSUEODZDWQAF-UHFFFAOYSA-N
Smiles O=C1OCCCC1CC2=NCCN2CCN
InChI
InChI=1/C11H19N3O2/c12-3-5-14-6-4-13-10(14)8-9-2-1-7-16-11(9)15/h9H,1-8,12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H19N3O2
Molecular Weight 225.15
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 67.92
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 99573-84-9
NORMAN SUSDAT
PubChem 113518