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

Structure

InChI Key IQICYUQNNRAIMZ-UHFFFAOYSA-N
Smiles CNP(=O)(NC)N(C)C
InChI
InChI=1S/C4H14N3OP/c1-5-9(8,6-2)7(3)4/h1-4H3,(H2,5,6,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H14N3O1P1
Molecular Weight 151.09
AlogP 0.09
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 44.37
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 16853-36-4
NORMAN SUSDAT