Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PT5DV8DD6Z
EPA CompTox DTXSID60942432

Structure

InChI Key VQCXOLDXRRLVAF-UHFFFAOYSA-N
Smiles OC1=CC=CC2=C1CCC2C
InChI
InChI=1/C10H12O/c1-7-5-6-9-8(7)3-2-4-10(9)11/h2-4,7,11H,5-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O
Molecular Weight 148.09
AlogP 2.44
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 20294-29-5
NORMAN SUSDAT
FDA SRS PT5DV8DD6Z
PubChem 89310