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

Structure

InChI Key LEXOZHHIDPMMAC-UHFFFAOYSA-N
Smiles N(N)=C(C=1C=CC=CC1)C
InChI
InChI=1/C8H10N2/c1-7(10-9)8-5-3-2-4-6-8/h2-6H,9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10N2
Molecular Weight 134.08
AlogP 1.37
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 38.38
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 13466-30-3
NORMAN SUSDAT
PubChem 114650