Molecule

ID:135708

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
132.12710968
Exact Mass
132.06970386
Charge
0
InChI
InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3/i4+1,6+1
InChIKey
XYIBRDXRRQCHLP-UHJUODCXSA-N
Canonic Smiles
CCO[13C](=O)[13CH2]C(=O)C
Isomeric Smiles
CCO[13C](=O)[13CH2]C(=O)C
Calculated Properties
JChem
Acid pKa
9.93099
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7345275
LogD (pH = 7.4)
0.73326755
Log P
0.5012103
Molar Refractivity
32.0566
Polarizability
12.67607
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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