Molecule

ID:127595

General Information
Structure
MolImage
Molecular Formula
C₂H₄O₂
Molecular Mass
60.05196
Exact Mass
60.02112937
Charge
0
InChI
InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2
InChIKey
WGCNASOHLSPBMP-UHFFFAOYSA-N
Canonic Smiles
OCC=O
Isomeric Smiles
O=CCO
Calculated Properties
JChem
LogD (pH = 7.4)
-1.20
LogD (pH = 5.5)
-1.20
Log P
-1.20
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
14.27
Polar Surface Area
37.30
Polarizability
5.32
Molar Refractivity
13.42
LOG S
0.96
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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