Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40972030

Structure

InChI Key CXNXIANFHSQCEO-UHFFFAOYSA-N
Smiles O=C1N(CC)CC2CCCCC12
InChI
InChI=1/C10H17NO/c1-2-11-7-8-5-3-4-6-9(8)10(11)12/h8-9H,2-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H17NO
Molecular Weight 167.13
AlogP 1.65
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.31
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 56593-87-4
NORMAN SUSDAT
PubChem 92461