Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50968686

Structure

InChI Key HACNVSXKTGSSTA-UHFFFAOYSA-N
Smiles NC(=N)N=NNNc1nnnn1
InChI
InChI=1/C2H6N10/c3-1(4)5-9-10-6-2-7-11-12-8-2/h(H4,3,4,5,10)(H2,6,7,8,9,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H6N10
Molecular Weight 170.08
AlogP -2.2
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 156.34
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 539-57-1
NORMAN SUSDAT