Molecule

ID:126074

General Information
Structure
MolImage
Molecular Formula
C₆H₆O₆
Molecular Mass
174.10824
Exact Mass
174.01643791
Charge
0
InChI
InChI=1S/C6H6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H
InChIKey
VWPUAXALDFFXJW-UHFFFAOYSA-N
Canonic Smiles
Oc1c(O)c(O)c(c(c1O)O)O
Isomeric Smiles
c1(c(c(c(c(c1O)O)O)O)O)O
Calculated Properties
JChem
Acid pKa
8.95999
H Acceptors
6
H Donor
6
LogD (pH = 5.5)
0.15170439
LogD (pH = 7.4)
0.14012559
Log P
0.15185389
Molar Refractivity
37.9434
Polarizability
14.248684
Polar Surface Area
121.38
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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