Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40380116

Structure

InChI Key MMGMLIHSHFKRDK-UHFFFAOYSA-N
Smiles C1=CN(N=C1)C2=CC=C(C=C2)CO
InChI
InChI=1S/C10H10N2O/c13-8-9-2-4-10(5-3-9)12-7-1-6-11-12/h1-7,13H,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10N2O1
Molecular Weight 174.08
AlogP 1.36
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 38.05
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 143426-49-7
NORMAN SUSDAT
PubChem 2776480
ChemSpider 99805.0