Molecule

ID:54191

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₅
Molecular Mass
210.1834
Exact Mass
210.05282342
Charge
0
InChI
InChI=1S/C10H10O5/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5,11H,1-2H3
InChIKey
CJOJIAKIRLKBOO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)O)C(=O)OC
Isomeric Smiles
c1c(cc(c(c1)C(=O)OC)O)C(=O)OC
Calculated Properties
JChem
Acid pKa
9.389843
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3265789
LogD (pH = 7.4)
2.3222506
Log P
2.3266344
Molar Refractivity
52.0895
Polarizability
19.866825
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
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References
Bioactivity
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