Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20215290

Structure

InChI Key VWFSSXIIBGOKGR-UHFFFAOYSA-N
Smiles Cc1cc(C)c2occc2c1
InChI
InChI=1S/C10H10O/c1-7-5-8(2)10-9(6-7)3-4-11-10/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10O1
Molecular Weight 146.07
AlogP 3.05
Hydrogen Bond Acceptor 1.0
Polar Surface Area 13.14
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 64965-91-9
NORMAN SUSDAT
ChemSpider 2342241.0