Molecule

ID:2760

General Information
Structure
MolImage
Molecular Formula
C₃H₄O₂
Molecular Mass
72.06266
Exact Mass
72.02112937
Charge
0
InChI
InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2
InChIKey
WSMYVTOQOOLQHP-UHFFFAOYSA-N
Canonic Smiles
O=CCC=O
Isomeric Smiles
O=CCC=O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.37
LogD (pH = 5.5)
-0.67
Log P
-0.65
Rotatable Bonds
2
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
6.76
Polar Surface Area
34.14
Polarizability
6.42
Molar Refractivity
17.14
LOG S
0.97
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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