Molecule

ID:42795

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₃
Molecular Mass
192.21118
Exact Mass
192.07864424
Charge
0
InChI
InChI=1S/C11H12O3/c1-8-3-5-10(6-4-8)11(13)7-14-9(2)12/h3-6H,7H2,1-2H3
InChIKey
GMGKFZCRKFZPMC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCC(=O)c1ccc(cc1)C
Isomeric Smiles
C(=O)(c1ccc(cc1)C)COC(=O)C
Calculated Properties
JChem
Acid pKa
13.866047
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.668192
LogD (pH = 7.4)
1.6681919
Log P
1.668192
Molar Refractivity
52.3557
Polarizability
20.278835
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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