Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 34K9MAW9FG
EPA CompTox DTXSID701289137

Structure

InChI Key MLAWCOBYMMKWMA-UHFFFAOYSA-N
Smiles O=C1C(=NO)CCCC1=NO
InChI
InChI=1/C6H8N2O3/c9-6-4(7-10)2-1-3-5(6)8-11/h10-11H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8N2O3
Molecular Weight 156.05
AlogP 0.4
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Polar Surface Area 82.25
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 10528-54-8
NORMAN SUSDAT
FDA SRS 34K9MAW9FG
PubChem 6826139