Molecule

ID:53506

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆O₄
Molecular Mass
190.15224
Exact Mass
190.02660867
Charge
0
InChI
InChI=1S/C10H6O4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4,13-14H
InChIKey
BVQUETZBXIMAFZ-UHFFFAOYSA-N
Canonic Smiles
O=C1C(=C(O)C(=O)c2c1cccc2)O
Isomeric Smiles
C1(=C(C(=O)c2c(C1=O)cccc2)O)O
Calculated Properties
JChem
Acid pKa
7.224683
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.44889465
LogD (pH = 7.4)
0.059719056
Log P
0.45700258
Molar Refractivity
50.118
Polarizability
18.118818
Polar Surface Area
74.6
Rotatable Bonds
0
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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