Metabolite Acetate

Name
Acetate
HMDB ID
Not Available
Description
Not Available
Structure
Thumb
CAS number
Not Available
Weight
Average: 59.044
Monoisotopic: 59.01330434
Chemical Formula
C2H3O2
InChI Key
QTBSBXVTEAMEQO-UHFFFAOYSA-M
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
IUPAC Name
acetate
SMILES
CC([O-])=O
Reactions
Predicted Properties
PropertyValueSource
Water Solubility490.0 mg/mLALOGPS
logP-0.29ALOGPS
logP-0.22ChemAxon
logS0.8ALOGPS
pKa (Strongest Acidic)4.54ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area40.13 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity23.48 m3·mol-1ChemAxon
Polarizability4.96 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon