Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7K14B03X18
EPA CompTox DTXSID20873854

Structure

InChI Key RYECOJGRJDOGPP-UHFFFAOYSA-N
Smiles O=C(N)NCC
InChI
InChI=1/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H8N2O
Molecular Weight 88.06
AlogP 0.09
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 56.11
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 625-52-5
NORMAN SUSDAT
FDA SRS 7K14B03X18
PubChem 12254