Structure

InChI Key GNKGXQHHUUEYQV-WTHAECTESA-N
Smile COc1cc2c(cc1OCCC[18F])CCN1C[C@@H](CC(C)C)[C@H](O)C[C@H]21
InChI
InChI=1S/C21H32FNO3/c1-14(2)9-16-13-23-7-5-15-10-21(26-8-4-6-22)20(25-3)11-17(15)18(23)12-19(16)24/h10-11,14,16,18-19,24H,4-9,12-13H2,1-3H3/t16-,18-,19-/m1/s1/i22-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H32FNO3
Molecular Weight 364.49
AlogP 3.76
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 41.93
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1780010
DrugBank DB14945
EPA CompTox DTXSID50241926
FDA SRS KM31LBX59H
SureChEMBL SCHEMBL14267503
ZINC ZINC000100529342