Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID601004807

Structure

InChI Key ULTYOAAXRRZFKW-UHFFFAOYSA-N
Smiles N=1C=CC=CC1CCC2OCCC2
InChI
InChI=1/C11H15NO/c1-2-8-12-10(4-1)6-7-11-5-3-9-13-11/h1-2,4,8,11H,3,5-7,9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15NO
Molecular Weight 177.12
AlogP 2.19
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 22.12
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 84522-32-7
NORMAN SUSDAT
PubChem 3019928