Molecule

ID:7806

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₄
Molecular Mass
192.16812
Exact Mass
192.04225874
Charge
0
InChI
InChI=1S/C10H8O4/c1-13-7-2-3-8-6(4-7)5-9(14-8)10(11)12/h2-5H,1H3,(H,11,12)
InChIKey
XZELWEMGWISCTP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)cc(o2)C(=O)O
Isomeric Smiles
c12c(oc(c1)C(=O)O)ccc(c2)OC
Calculated Properties
JChem
Acid pKa
3.103027
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8155429
LogD (pH = 7.4)
-1.9087238
Log P
1.552282
Molar Refractivity
48.496
Polarizability
19.569515
Polar Surface Area
59.67
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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