Molecule

ID:103658

General Information
Structure
MolImage
Molecular Formula
C₂H₆O₆
Molecular Mass
126.06544
Exact Mass
126.01643791
Charge
0
InChI
InChI=1S/C2H2O4.2H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H2
InChIKey
GEVPUGOOGXGPIO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.O.O
Isomeric Smiles
O.O.OC(=O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.3639908
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-5.101814
LogD (pH = 7.4)
-6.8848467
Log P
-0.26375157
Molar Refractivity
14.4386
Polarizability
5.8697963
Polar Surface Area
74.6
Rotatable Bonds
1
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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