Molecule

ID:11394

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₄
Molecular Mass
156.13602
Exact Mass
156.04225874
Charge
0
InChI
InChI=1S/C7H8O4/c1-2-10-6-4-3-5(11-6)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChIKey
SALAWNGVJRQXAU-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(o1)C(=O)O
Isomeric Smiles
c1(oc(cc1)OCC)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1461902
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3481696
LogD (pH = 7.4)
-2.4749346
Log P
0.9795031
Molar Refractivity
36.1702
Polarizability
14.023136
Polar Surface Area
59.67
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
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Molecule Details
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References
Bioactivity
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