Molecule

ID:2788

General Information
Structure
MolImage
Molecular Formula
C₂H₄O₃
Molecular Mass
76.05136
Exact Mass
76.01604399
Charge
0
InChI
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
InChIKey
AEMRFAOFKBGASW-UHFFFAOYSA-N
Canonic Smiles
OCC(=O)O
Isomeric Smiles
OCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.41
LogD (pH = 5.5)
-3.01
Log P
-1.04
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.53
Polar Surface Area
57.53
Polarizability
6.20
Molar Refractivity
14.35
LOG S
0.76
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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