Molecule

ID:65086

General Information
Structure
MolImage
Molecular Formula
C₄H₄O₂
Molecular Mass
84.07336
Exact Mass
84.02112937
Charge
0
InChI
InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
InChIKey
VIHAEDVKXSOUAT-UHFFFAOYSA-N
Canonic Smiles
C1OC(=O)C=C1
Isomeric Smiles
C1C=CC(=O)O1
Calculated Properties
JChem
LogD (pH = 7.4)
0.54
LogD (pH = 5.5)
0.54
Log P
0.54
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-6.81
Polar Surface Area
26.30
Polarizability
7.48
Molar Refractivity
21.25
LOG S
-0.72
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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