Molecule

ID:129271

General Information
Structure
Molecular Formula
C₆H₂O₆
Molecular Mass
170.07648
Exact Mass
169.98513778
Charge
0
InChI
InChI=1S/C6H2O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-8H
InChIKey
WCJLIWFWHPOTAC-UHFFFAOYSA-N
Canonic Smiles
OC1=C(O)C(=O)C(=O)C(=O)C1=O
Isomeric Smiles
C1(=C(C(=O)C(=O)C(=O)C1=O)O)O
Calculated Properties
JChem
Acid pKa
2.342358
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-2.6651027
LogD (pH = 7.4)
-3.3806555
Log P
0.34240055
Molar Refractivity
35.4872
Polarizability
12.755052
Polar Surface Area
108.74
Rotatable Bonds
0
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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