Molecule

ID:107232

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₄
Molecular Mass
194.184
Exact Mass
194.0579088
Charge
0
InChI
InChI=1S/C10H10O4/c11-9(12)5-7-3-1-2-4-8(7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
InChIKey
MMEDJBFVJUFIDD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccccc1CC(=O)O
Isomeric Smiles
OC(=O)Cc1ccccc1CC(=O)O
Calculated Properties
JChem
Acid pKa
3.790376
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4580255
LogD (pH = 7.4)
-4.828199
Log P
1.2487423
Molar Refractivity
48.6732
Polarizability
18.772873
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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