Molecule

ID:53627

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄O₄
Molecular Mass
188.13636
Exact Mass
188.01095861
Charge
0
InChI
InChI=1S/C10H4O4/c11-7-5-3-1-2-4-6(5)8(12)10(14)9(7)13/h1-4H
InChIKey
HZVGIXIRNANSHU-UHFFFAOYSA-N
Canonic Smiles
O=c1c2ccccc2c(=O)c(=O)c1=O
Isomeric Smiles
c1(=O)c(=O)c(=O)c2c(c1=O)cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
1.39
LogD (pH = 5.5)
1.39
Log P
1.39
Rotatable Bonds
0
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
-6.15
Polar Surface Area
68.28
Polarizability
16.47
Molar Refractivity
46.71
LOG S
-2.26
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
References
Bioactivity
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