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

Structure

InChI Key NZDSGBWRZXBCRU-UHFFFAOYSA-N
Smiles [Cl-].C[N+](C)(C)CC(O)CC#N
InChI
InChI=1S/C7H15N2O/c1-9(2,3)6-7(10)4-5-8/h7,10H,4,6H2,1-3H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15N2O1
Molecular Weight 143.12
AlogP -0.03
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 44.02
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 18933-33-0
NORMAN SUSDAT