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

Structure

InChI Key FTXJJWSBDNXQSL-UHFFFAOYSA-O
Smiles [Cl-].CC(=O)NCCOCCC[N+](C)(C)C
InChI
InChI=1S/C10H22N2O2/c1-10(13)11-6-9-14-8-5-7-12(2,3)4/h5-9H2,1-4H3/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H23N2O2
Molecular Weight 203.18
AlogP 1.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 41.82
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 137044-11-2
NORMAN SUSDAT