Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40209838

Structure

InChI Key UUSGZWZUYJHBJS-UHFFFAOYSA-N
Smiles CCCCNc1cccc(C)c1
InChI
InChI=1S/C11H17N/c1-3-4-8-12-11-7-5-6-10(2)9-11/h5-7,9,12H,3-4,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17N1
Molecular Weight 163.14
AlogP 3.21
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 60995-75-7
NORMAN SUSDAT
PubChem 109036
ChemSpider 98054.0