Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W4C9Z5BCV7
EPA CompTox DTXSID60195183

Structure

InChI Key KKKDZZRICRFGSD-UHFFFAOYSA-N
Smiles C1=CC=C(C=C1)CN2C=CN=C2
InChI
InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10N2
Molecular Weight 158.08
AlogP 1.93
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 17.82
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 4238-71-5
NORMAN SUSDAT
FDA SRS W4C9Z5BCV7
PubChem 77918
ChemSpider 70309.0