Molecule

ID:83182

General Information
Structure
MolImage
Molecular Formula
C₈H₈O₄
Molecular Mass
168.14672
Exact Mass
168.04225874
Charge
0
InChI
InChI=1S/C8H8O4/c1-5-7(8(10)11-2)3-6(4-9)12-5/h3-4H,1-2H3
InChIKey
WINMHOHYPKKTEM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(oc1C)C=O
Isomeric Smiles
o1c(c(cc1C=O)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9490331
LogD (pH = 7.4)
0.9490331
Log P
0.9490331
Molar Refractivity
42.2079
Polarizability
15.398762
Polar Surface Area
56.51
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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