Molecule

ID:113738

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey
AOPNPZIOVIPWMF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CC(=O)C(=O)O
Isomeric Smiles
C(=O)(C(=O)Cc1ccc(cc1)OC)O
Calculated Properties
JChem
Acid pKa
3.027604
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.69486386
LogD (pH = 7.4)
-1.7286869
Log P
1.7425425
Molar Refractivity
49.1748
Polarizability
19.001936
Polar Surface Area
63.6
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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