Molecule

ID:59898

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₄
Molecular Mass
192.16812
Exact Mass
192.04225874
Charge
0
InChI
InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
InChIKey
QNVWGEJMXOQQPM-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(O)c2c(c1)oc(=O)cc2C
Isomeric Smiles
c1(c2c(oc(=O)c1)cc(cc2O)O)C
Calculated Properties
JChem
Acid pKa
7.433672
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4706249
LogD (pH = 7.4)
1.1854584
Log P
1.4756236
Molar Refractivity
49.7924
Polarizability
18.790207
Polar Surface Area
66.76
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
References
Bioactivity
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