DOBESILIC ACID

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TO0PAT081I

Structure
InChI Key IKQCSJBQLWJEPU-UHFFFAOYSA-N
Smile O=S(=O)(O)c1cc(O)ccc1O
InChI
InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6O5S
Molecular Weight 190.18
AlogP 0.34
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 94.83
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 12.0

Cross References

Resources Reference
ChEBI 71157
ChEMBL CHEMBL1232131
DrugBank DB13529
EPA CompTox DTXSID8045014
FDA SRS TO0PAT081I
PDB DBX
PubChem 17507
SureChEMBL SCHEMBL232087
ZINC ZINC000001663856
CONTENTS