Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90886072

Structure

InChI Key DICAWUKDDRKZDZ-UHFFFAOYSA-N
Smiles OCCN1C2=CC(=CC=C2C(C)CC1(C)C)C
InChI
InChI=1/C15H23NO/c1-11-5-6-13-12(2)10-15(3,4)16(7-8-17)14(13)9-11/h5-6,9,12,17H,7-8,10H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23NO
Molecular Weight 233.18
AlogP 3.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 23.47
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 53817-44-0
NORMAN SUSDAT
PubChem 103845