Molecule

ID:33079

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₄
Molecular Mass
218.2054
Exact Mass
218.0579088
Charge
0
InChI
InChI=1S/C12H10O4/c13-12(14)11-7-6-10(16-11)8-15-9-4-2-1-3-5-9/h1-7H,8H2,(H,13,14)
InChIKey
KPSLIMYRDNBEGK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)COc1ccccc1
Isomeric Smiles
c1(oc(cc1)COc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1123633
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.18128265
LogD (pH = 7.4)
-1.2817534
Log P
2.1778784
Molar Refractivity
56.6584
Polarizability
21.66988
Polar Surface Area
59.67
Rotatable Bonds
4
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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