Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20157363

Structure

InChI Key SYZIUAAQNFJPJY-UHFFFAOYSA-N
Smiles O=C1Nc2ccccc2CO1
InChI
InChI=1S/C8H7NO2/c10-8-9-7-4-2-1-3-6(7)5-11-8/h1-4H,5H2,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7N1O2
Molecular Weight 149.05
AlogP 1.76
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 41.82
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 13213-88-2
NORMAN SUSDAT
PubChem 25786
ChemSpider 24022.0