Structure

InChI Key HNPHEZIYSZIWHH-RVRFMXCPSA-N
Smile N=C(N)NCc1cccc([18F])c1
InChI
InChI=1S/C8H10FN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)/i9-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10FN3
Molecular Weight 166.19
AlogP 0.81
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 61.9
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
ChEMBL CHEMBL4650354
FDA SRS CD7WXM716P