Molecule

ID:112857

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₄
Molecular Mass
218.2054
Exact Mass
218.0579088
Charge
0
InChI
InChI=1S/C12H10O4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6,13-16H
InChIKey
MZEFNGQKJROKHS-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1O)c1ccc(c(c1)O)O
Isomeric Smiles
Oc1c(O)cc(cc1)c1cc(O)c(O)cc1
Calculated Properties
JChem
Acid pKa
8.893099
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
2.4060354
LogD (pH = 7.4)
2.3924694
Log P
2.40621
Molar Refractivity
59.1178
Polarizability
23.683535
Polar Surface Area
80.92
Rotatable Bonds
1
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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