Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H804A5426K
EPA CompTox DTXSID0022149

Structure

InChI Key YFNONBGXNFCTMM-UHFFFAOYSA-N
Smiles CCCCOc1ccccc1
InChI
InChI=1S/C10H14O/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14O1
Molecular Weight 150.1
AlogP 2.87
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1126-79-0
NORMAN SUSDAT
FDA SRS H804A5426K
PubChem 14311
ChemSpider 13673.0