Molecule
ID:82193
General Information
Molecular Formula
C₆H₄O₄
Molecular Mass
140.09356
Exact Mass
140.01095861
Charge
0
InChI
InChI=1S/C6H4O4/c7-2-1-3(8)5-6(10-5)4(2)9/h1,5-7H
InChIKey
HWTYHISMBRULSZ-UHFFFAOYSA-N
Canonic Smiles
OC1=CC(=O)C2C(C1=O)O2
Isomeric Smiles
O1C2C1C(=O)C=C(C2=O)O
Calculated Properties
JChem
Acid pKa
6.983997
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.13474199
LogD (pH = 7.4)
-0.67743814
Log P
-0.120725855
Molar Refractivity
31.0925
Polarizability
11.72571
Polar Surface Area
66.9
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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