Molecule

ID:72116

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₄
Molecular Mass
192.16812
Exact Mass
192.04225874
Charge
0
InChI
InChI=1S/C10H8O4/c1-13-8-4-6(10(11)12)5-9-7(8)2-3-14-9/h2-5H,1H3,(H,11,12)
InChIKey
RBOYKBFMOKKKCD-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc2c1cco2)C(=O)O
Isomeric Smiles
c12c(cc(C(=O)O)cc1OC)occ2
Calculated Properties
JChem
Acid pKa
3.514935
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.34503096
LogD (pH = 7.4)
-1.7385905
Log P
1.6322808
Molar Refractivity
48.6185
Polarizability
19.564167
Polar Surface Area
59.67
Rotatable Bonds
2
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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