Molecule

ID:3248

General Information
Structure
Molecular Formula
C₃H₄O₂
Molecular Mass
72.06266
Exact Mass
72.02112937
Charge
0
InChI
InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3
InChIKey
AIJULSRZWUXGPQ-UHFFFAOYSA-N
Canonic Smiles
O=CC(=O)C
Isomeric Smiles
CC(=O)C=O
Calculated Properties
JChem
LogD (pH = 7.4)
0.20
LogD (pH = 5.5)
0.20
Log P
0.20
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
16.38
Polar Surface Area
34.14
Polarizability
6.45
Molar Refractivity
17.05
LOG S
0.33
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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