Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YHB9CZB63U
EPA CompTox DTXSID2060678

Structure

InChI Key MWOODERJGVWYJE-UHFFFAOYSA-N
Smiles CN(N)c1ccccc1
InChI
InChI=1S/C7H10N2/c1-9(8)7-5-3-2-4-6-7/h2-6H,8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10N2
Molecular Weight 122.08
AlogP 1.0
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 29.26
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 618-40-6
NORMAN SUSDAT
FDA SRS YHB9CZB63U
PubChem 36299
ChemSpider 23223.0