Molecule

ID:136509

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₃
Molecular Mass
131.13445484
Exact Mass
131.06634902
Charge
0
InChI
InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/i6+1
InChIKey
BKAJNAXTPSGJCU-PTQBSOBMSA-N
Canonic Smiles
CC(CC(=O)[13C](=O)O)C
Isomeric Smiles
CC(C)CC(=O)[13C](=O)O
Calculated Properties
JChem
Acid pKa
3.5280511
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.4667107
LogD (pH = 7.4)
-1.8688251
Log P
1.4979975
Molar Refractivity
31.7662
Polarizability
12.438887
Polar Surface Area
54.37
Rotatable Bonds
3
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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