Structure

InChI Key BDJRBEYXGGNYIS-UHFFFAOYSA-N
Smiles O=C(O)CCCCCCCC(=O)O
InChI
InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16O4
Molecular Weight 188.22
AlogP 1.89
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 74.6
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 13.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 100.44-107.22

Related Entries

Cross References

Resources Reference
ChEBI 48131
ChEMBL CHEMBL1238
DrugBank DB00548
DrugCentral 270
FDA SRS F2VW3D43YT
Human Metabolome Database HMDB0000784
Guide to Pharmacology 7484
KEGG C08261
PDB AZ1
PharmGKB PA164754850
PubChem 2266
SureChEMBL SCHEMBL3887
ZINC ZINC000001531036