Structure

InChI Key ZYULQCDNUYJBRI-HSGWXFLFSA-N
Smile N=C(N)NCc1ccc(OCCC[18F])c(Br)c1
InChI
InChI=1S/C11H15BrFN3O/c12-9-6-8(7-16-11(14)15)2-3-10(9)17-5-1-4-13/h2-3,6H,1,4-5,7H2,(H4,14,15,16)/i13-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15BrFN3O
Molecular Weight 303.17
AlogP 2.17
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 71.13
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Cross References

Resources Reference
ChEMBL CHEMBL4298157
FDA SRS 8LF7W971UM
SureChEMBL SCHEMBL13158624