Molecule

ID:110445

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₅
Molecular Mass
210.1834
Exact Mass
210.05282342
Charge
0
InChI
InChI=1S/C10H10O5/c1-14-7-4-3-6(5-11)8(10(12)13)9(7)15-2/h3-5H,1-2H3,(H,12,13)
InChIKey
HVXXOIGTXJOVON-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1OC)C(=O)O)C=O
Isomeric Smiles
COc1ccc(C=O)c(C(=O)O)c1OC
Calculated Properties
JChem
Acid pKa
3.557697
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.9081533
LogD (pH = 7.4)
-2.32935
Log P
1.0279886
Molar Refractivity
52.8246
Polarizability
19.692942
Polar Surface Area
72.83
Rotatable Bonds
4
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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