Molecule

ID:102463

General Information
Structure
Molecular Formula
C₆H₈O₆
Molecular Mass
176.12412
Exact Mass
176.03208798
Charge
0
InChI
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H
InChIKey
UYUXSRADSPPKRZ-UHFFFAOYSA-N
Canonic Smiles
O=CC(C1OC(=O)C(C1O)O)O
Isomeric Smiles
OC(C=O)C1OC(=O)C(O)C1O
Calculated Properties
JChem
Acid pKa
11.332507
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.5836155
LogD (pH = 7.4)
-2.5836656
Log P
-2.5836148
Molar Refractivity
33.7208
Polarizability
14.112011
Polar Surface Area
104.06
Rotatable Bonds
2
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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