Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60178592

Structure

InChI Key QYFYIOWLBSPSDM-UHFFFAOYSA-N
Smiles Nc1cc2cccc(O)c2cc1
InChI
InChI=1S/C10H9NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6,12H,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9N1O1
Molecular Weight 159.07
AlogP 2.13
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 46.25
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 23894-12-4
NORMAN SUSDAT
PubChem 90295
ChemSpider 81519.0