Molecule

ID:38197

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₃
Molecular Mass
192.21118
Exact Mass
192.07864424
Charge
0
InChI
InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey
GKKZMYDNDDMXSE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(=O)c1ccccc1
Isomeric Smiles
c1ccc(cc1)C(=O)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
10.841488
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9258218
LogD (pH = 7.4)
1.9256668
Log P
1.9258238
Molar Refractivity
52.3226
Polarizability
20.355774
Polar Surface Area
43.37
Rotatable Bonds
5
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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