Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40941382

Structure

InChI Key VRCFZKKIBKCDQH-UHFFFAOYSA-N
Smiles O1CC1CN(C=2C=CC=CC2)CC
InChI
InChI=1/C11H15NO/c1-2-12(8-11-9-13-11)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15NO
Molecular Weight 177.12
AlogP 1.91
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 15.77
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 19614-67-6
NORMAN SUSDAT
PubChem 89192