Structure

InChI Key BKRIRZXWWALTPU-UHFFFAOYSA-N
Smile COC(=O)c1ccc(-c2ccc(C(=O)OC)cc2)cc1
InChI
InChI=1S/C16H14O4/c1-19-15(17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(18)20-2/h3-10H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H14O4
Molecular Weight 270.28
AlogP 2.93
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 52.6
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 20.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Liver Diseases 3 D008107 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297409
DrugBank DB12475
EPA CompTox DTXSID2061143
FDA SRS K61BXA0U9C
PubChem 13099
SureChEMBL SCHEMBL68521
ZINC ZINC000000132343