Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7V3JJ391AU
EPA CompTox DTXSID70221442

Structure

InChI Key ZJOFAFWTOKDIFH-JTQLQIEISA-N
Smiles O=NN1CC=CC[C@H]1c2cccnc2
InChI
InChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11N3O1
Molecular Weight 189.09
AlogP 2.07
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 45.56
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 71267-22-6
NORMAN SUSDAT
FDA SRS 7V3JJ391AU