Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70926980

Structure

InChI Key QUOGESRFPZDMMT-YFKPBYRVSA-N
Smiles N=C(N)NCCCC[C@H](N)C(=O)O
InChI
InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)/t5-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H16N4O2
Molecular Weight 188.13
AlogP -0.95
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 6.0
Polar Surface Area 125.22
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 13094-78-5
NORMAN SUSDAT
PubChem 9085