Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SLL7476ODN
EPA CompTox DTXSID3059474

Structure

InChI Key KVHHMYZBFBSVDI-UHFFFAOYSA-N
Smiles Nc1c2cc(O)ccc2ccc1
InChI
InChI=1S/C10H9NO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/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 118-46-7
NORMAN SUSDAT
FDA SRS SLL7476ODN
PubChem 8358
ChemSpider 8055.0