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

Structure

InChI Key IBLXQORUIPXUKB-SCSAIBSYSA-N
Smiles O/N=C/C[C@@H](O)C=NO
InChI
InChI=1S/C4H8N2O3/c7-4(3-6-9)1-2-5-8/h4,7H,1-3H2/t4-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8N2O3
Molecular Weight 132.05
AlogP 0.27
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 79.09
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 97173-34-7
NORMAN SUSDAT