Molecule

ID:71699

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)
InChIKey
LVFFZQQWIZURIO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccccc1)CC(=O)O
Isomeric Smiles
c1cccc(c1)C(CC(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
4.068308
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.38282058
LogD (pH = 7.4)
-3.573225
Log P
1.2783073
Molar Refractivity
48.2065
Polarizability
18.776299
Polar Surface Area
74.6
Rotatable Bonds
4
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
References
Bioactivity
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