Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30184009

Structure

InChI Key CWEGCQIIDCZZED-UHFFFAOYSA-N
Smiles C(N1CCCC1)c1ccccc1
InChI
InChI=1S/C11H15N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-3,6-7H,4-5,8-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15N1
Molecular Weight 161.12
AlogP 2.28
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 29897-82-3
NORMAN SUSDAT
PubChem 122501
ChemSpider 109221.0