Structure

InChI Key RDJGLLICXDHJDY-UHFFFAOYSA-N
Smile CC(C(=O)O)c1cccc(Oc2ccccc2)c1
InChI
InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14O3
Molecular Weight 242.27
AlogP 3.67
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 46.53
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 5004
ChEMBL CHEMBL1297
DrugBank DB00573
DrugCentral 1154
EPA CompTox DTXSID9023045
FDA SRS RA33EAC7KY
Human Metabolome Database HMDB0014713
Guide to Pharmacology 4820
KEGG C06997
PharmGKB PA449597
PubChem 3342
SureChEMBL SCHEMBL3797