Structure

InChI Key ZTHYODDOHIVTJV-UHFFFAOYSA-N
Smile CCCOC(=O)c1cc(O)c(O)c(O)c1
InChI
InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H12O5
Molecular Weight 212.2
AlogP 1.37
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 86.99
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Cross References

Resources Reference
ChEBI 10607
ChEMBL CHEMBL7983
DrugBank DB12450
EPA CompTox DTXSID5021201
FDA SRS 8D4SNN7V92
Human Metabolome Database HMDB0033835
KEGG C11155
PubChem 4947
SureChEMBL SCHEMBL22630
ZINC ZINC000001532172