Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60975689

Structure

InChI Key LWIPMLPWRZUQQH-UHFFFAOYSA-N
Smiles OCC(O)CNCCCC
InChI
InChI=1/C7H17NO2/c1-2-3-4-8-5-7(10)6-9/h7-10H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17NO2
Molecular Weight 147.13
AlogP -0.27
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 52.49
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 60278-95-7
NORMAN SUSDAT
PubChem 108432