Molecule

ID:110294

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₂
Molecular Mass
100.11582
Exact Mass
100.0524295
Charge
0
InChI
InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)
InChIKey
YYPNJNDODFVZLE-UHFFFAOYSA-N
Canonic Smiles
CC(=CC(=O)O)C
Isomeric Smiles
CC(=CC(=O)O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-1.36
LogD (pH = 5.5)
0.41
Log P
1.16
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.83
Polar Surface Area
37.30
Polarizability
10.25
Molar Refractivity
27.25
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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