Molecule

ID:40397

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀O₅
Molecular Mass
186.162
Exact Mass
186.05282342
Charge
0
InChI
InChI=1S/C8H10O5/c1-4(9)5-6(10)12-8(2,3)13-7(5)11/h5H,1-3H3
InChIKey
BTJDMDJIAAHSRG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C1C(=O)OC(OC1=O)(C)C
Isomeric Smiles
C1(=O)C(C(=O)OC(O1)(C)C)C(=O)C
Calculated Properties
JChem
Acid pKa
3.9248853
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.5650348
LogD (pH = 7.4)
-1.1736199
Log P
0.44114685
Molar Refractivity
41.0734
Polarizability
16.526321
Polar Surface Area
69.67
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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