Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B8899ZB75V

Structure

InChI Key WFIPYARNKIWELZ-UHFFFAOYSA-N
Smiles CN[P](=O)(NC)NC;CNP(=O)(NC)NC
InChI
InChI=1S/C3H12N3OP/c1-4-8(7,5-2)6-3/h1-3H3,(H3,4,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H12N3O1P1
Molecular Weight 137.07
AlogP -0.25
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 53.16
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 6326-72-3
NORMAN SUSDAT
FDA SRS B8899ZB75V