Structure

InChI Key QTBSBXVTEAMEQO-UHFFFAOYSA-N
Smiles CC(=O)O
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4O2
Molecular Weight 60.05
AlogP 0.09
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 37.3
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 4.0
Assay Description Organism Bioactivity Reference
Dissociation constant for binding to SH2 domain of Fyn protein kinase None 900.0 nM
Dissociation constant for binding to SH2 domain of p56 lck tyrosine kinase None 640.0 nM
Nematotoxic activity against freshly hatched Meloidogyne incognita J2 (root-knot nematode) isolated from tomato roots assessed as induction of nematode paralysis measured 24 hr after immersion in compound test solutions Meloidogyne incognita 38.3 ug.mL-1
Nematotoxic activity against Meloidogyne incognita (root-knot nematode) Meloidogyne incognita 38.3 ug.mL-1
Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) assessed as paralysis measured after 1 day at 28 degC Meloidogyne incognita 38.3 ug.mL-1
Nematicidal activity against Meloidogyne incognita J2 (root-knot nematode) assessed as paralysis measured after 1 hr at 28 degC Meloidogyne incognita 64.0 ug.mL-1

Cross References

Resources Reference
ChEBI 15366
ChEMBL CHEMBL539
DrugBank DB03166
DrugCentral 4211
FDA SRS Q40Q9N063P
Human Metabolome Database HMDB0000042
Guide to Pharmacology 1058
KEGG C00033
PDB ACY
PharmGKB PA448021
PubChem 176
SureChEMBL SCHEMBL469
ZINC ZINC000005224164