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

Structure

InChI Key REHXZJOFCQVILJ-DHZHZOJOSA-N
Smiles O.NN(NN=C1N=NN=N1)C(N)=N
InChI
InChI=1S/C2H6N10/c3-1(4)12(5)11-8-2-6-9-10-7-2/h2H,5H2,(H3,3,4)/b11-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H6N10
Molecular Weight 170.08
AlogP -0.46
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 153.29
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 31330-63-9
NORMAN SUSDAT