Molecule

ID:125202

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆O₆
Molecular Mass
222.15104
Exact Mass
222.01643791
Charge
0
InChI
InChI=1S/C10H6O6/c11-3-1-4-6(5(12)2-3)8(14)10(16)9(15)7(4)13/h1-2,11-12,15-16H
InChIKey
RWRKDUHFUYRCIT-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)c2c(c1)C(=O)C(=C(C2=O)O)O
Isomeric Smiles
Oc1cc(O)c2c(c1)C(=O)C(=C(O)C2=O)O
Calculated Properties
JChem
Acid pKa
6.5926027
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
0.4661041
LogD (pH = 7.4)
-0.45061725
Log P
0.49987194
Molar Refractivity
54.0798
Polarizability
19.465511
Polar Surface Area
115.06
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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