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

Structure

InChI Key CSOKYJHZBDJCHS-SNVBAGLBSA-N
Smiles [Br-].C[C@H](C(=O)c1ccccc1)[N+](C)(C)C
InChI
InChI=1S/C12H18NO/c1-10(13(2,3)4)12(14)11-8-6-5-7-9-11/h5-10H,1-4H3/q+1/t10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H18N1O1
Molecular Weight 192.14
AlogP 1.96
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 55380-59-1
NORMAN SUSDAT