Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10878974

Structure

InChI Key VFIAOIVGTFADLM-UHFFFAOYSA-N
Smiles O1C=CC=C1CN(C)C
InChI
InChI=1/C7H11NO/c1-8(2)6-7-4-3-5-9-7/h3-5H,6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11NO
Molecular Weight 125.08
AlogP 1.34
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 16.38
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 14496-34-5
NORMAN SUSDAT
PubChem 84478