Molecule
ID:122666
General Information
Molecular Formula
C₁₀H₁₀O₅
Molecular Mass
210.1834
Exact Mass
210.05282342
Charge
0
InChI
InChI=1S/C10H10O5/c1-6-3-4-9(15-6)7(11)5-8(12)10(13)14-2/h3-4H,5H2,1-2H3
InChIKey
KGUCUAYJFJVZPU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=O)CC(=O)c1ccc(o1)C
Isomeric Smiles
c1(oc(cc1)C)C(=O)CC(=O)C(=O)OC
Calculated Properties
JChem
Acid pKa
8.044902
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3501409
LogD (pH = 7.4)
1.262768
Log P
1.3513768
Molar Refractivity
50.4606
Polarizability
19.207838
Polar Surface Area
73.58
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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