Structure

InChI Key AFLDFEASYWNJGX-FOHXBPHZSA-N
Smile CC(C)NC(C)Cc1ccc([123I])cc1.Cl
InChI
InChI=1S/C12H18IN.ClH/c1-9(2)14-10(3)8-11-4-6-12(13)7-5-11;/h4-7,9-10,14H,8H2,1-3H3;1H/i13-4;

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19ClIN
Molecular Weight 335.65
AlogP 3.22
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
ChEMBL CHEMBL1200360
FDA SRS R5O1XB5L3M