Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JS9DUH84WG
EPA CompTox DTXSID0065018

Structure

InChI Key WNRGWPVJGDABME-UHFFFAOYSA-N
Smiles COC1=CC(=CC(=C1)N)OC
InChI
InChI=1S/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H11N1O2
Molecular Weight 153.08
AlogP 1.29
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 44.48
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 10272-07-8
NORMAN SUSDAT
FDA SRS JS9DUH84WG
PubChem 66301
ChemSpider 16685.0