Molecule

ID:133492

General Information
Structure
MolImage
Molecular Formula
C₆H₆O₆
Molecular Mass
174.10824
Exact Mass
174.01643791
Charge
0
InChI
InChI=1S/C6H6O6/c7-5-9-1-3(11-5)4-2-10-6(8)12-4/h3-4H,1-2H2/t3-,4+
InChIKey
ZWGIZHOZSXFSNW-ZXZARUISSA-N
Canonic Smiles
O=C1OC[C@@H](O1)[C@@H]1COC(=O)O1
Isomeric Smiles
C1[C@@H](OC(=O)O1)[C@@H]1COC(=O)O1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.68863827
LogD (pH = 7.4)
0.68863827
Log P
0.68863827
Molar Refractivity
31.5062
Polarizability
13.623558
Polar Surface Area
71.06
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
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References
Bioactivity
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