Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C818L19FMP
EPA CompTox DTXSID1020015

Structure

InChI Key UICBCXONCUFSOI-UHFFFAOYSA-N
Smiles CC(=O)NNc1ccccc1
InChI
InChI=1S/C8H10N2O/c1-7(11)9-10-8-5-3-2-4-6-8/h2-6,10H,1H3,(H,9,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10N2O1
Molecular Weight 150.08
AlogP 1.99
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 44.62
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 114-83-0
NORMAN SUSDAT
FDA SRS C818L19FMP
PubChem 8247
ChemSpider 7951.0