Molecule

ID:59875

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₅
Molecular Mass
234.2048
Exact Mass
234.05282342
Charge
0
InChI
InChI=1S/C12H10O5/c1-16-11(14)4-7-5-12(15)17-10-6-8(13)2-3-9(7)10/h2-3,5-6,13H,4H2,1H3
InChIKey
YRNMDWOVAZLMDY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1cc(=O)oc2c1ccc(c2)O
Isomeric Smiles
c1(c2c(oc(=O)c1)cc(cc2)O)CC(=O)OC
Calculated Properties
JChem
Acid pKa
7.7575955
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0470318
LogD (pH = 7.4)
0.8925725
Log P
1.0494099
Molar Refractivity
58.847
Polarizability
22.655844
Polar Surface Area
72.83
Rotatable Bonds
3
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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