Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 726V2ETM9E
EPA CompTox DTXSID7025138

Structure

InChI Key CMEWLCATCRTSGF-UHFFFAOYSA-N
Smiles CN(C)c1ccc(cc1)N=O
InChI
InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10N2O1
Molecular Weight 150.08
AlogP 2.15
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 32.67
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 138-89-6
NORMAN SUSDAT
FDA SRS 726V2ETM9E
PubChem 8749
ChemSpider 8419.0