Molecule

ID:82811

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆O₄
Molecular Mass
190.15224
Exact Mass
190.02660867
Charge
0
InChI
InChI=1S/C10H6O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-5H,(H,11,12)
InChIKey
XKMGDVJBAWUUDZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)/C=C\1/OC(=O)c2c1cccc2
Isomeric Smiles
O1C(=O)c2ccccc2/C/1=C\C(=O)O
Calculated Properties
JChem
Acid pKa
2.5072422
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7081145
LogD (pH = 7.4)
-2.3367605
Log P
1.1742942
Molar Refractivity
48.7162
Polarizability
18.091616
Polar Surface Area
63.6
Rotatable Bonds
1
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
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References
Bioactivity
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