Structure

InChI Key LAYLQVBQIBQVLL-UHFFFAOYSA-N
Smiles CCOC(=O)CCCCCCCCC(C)c1ccc(I)cc1
InChI
InChI=1S/C19H29IO2/c1-3-22-19(21)11-9-7-5-4-6-8-10-16(2)17-12-14-18(20)15-13-17/h12-16H,3-11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H29IO2
Molecular Weight 416.34
AlogP 6.08
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 26.3
Heavy Atoms 22.0

Related Entries

Cross References

Resources Reference
CAS NUMBER 1320-11-2
ChEMBL CHEMBL951
FDA SRS 2990I809YH
SureChEMBL SCHEMBL492663