Molecule

ID:57404

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆O₄
Molecular Mass
190.15224
Exact Mass
190.02660867
Charge
0
InChI
InChI=1S/C10H6O4/c11-5-7-9(12)6-3-1-2-4-8(6)14-10(7)13/h1-5,12H
InChIKey
WNIIGYLAWCFYOW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(=O)oc2c(c1O)cccc2
Isomeric Smiles
c1ccc2c(c1)c(c(c(=O)o2)C=O)O
Calculated Properties
JChem
Acid pKa
5.231619
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.00400088
LogD (pH = 7.4)
-1.6271496
Log P
0.45843956
Molar Refractivity
48.5898
Polarizability
18.271109
Polar Surface Area
63.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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