Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10991975

Structure

InChI Key AYSRDSVZHJXCLD-UHFFFAOYSA-N
Smiles ClC=1C=CC=CC1C2(O)CCNCC2
InChI
InChI=1/C11H14ClNO/c12-10-4-2-1-3-9(10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14ClNO
Molecular Weight 211.08
AlogP 1.91
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 32.26
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 71501-46-7
NORMAN SUSDAT
PubChem 3018169