Molecule

ID:65929

General Information
Structure
MolImage
Molecular Formula
C₆H₈O₃
Molecular Mass
128.12592
Exact Mass
128.04734412
Charge
0
InChI
InChI=1S/C6H8O3/c1-4(7)9-6-2-5(8)3-6/h6H,2-3H2,1H3
InChIKey
FWHLIVHQAGFBOA-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(C1)OC(=O)C
Isomeric Smiles
C1C(=O)CC1OC(=O)C
Calculated Properties
JChem
Acid pKa
17.227085
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.034721263
LogD (pH = 7.4)
-0.034721263
Log P
-0.034721263
Molar Refractivity
29.5584
Polarizability
11.971691
Polar Surface Area
43.37
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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