Molecule

ID:106168

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₃
Molecular Mass
194.22706
Exact Mass
194.09429431
Charge
0
InChI
InChI=1S/C11H14O3/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7H,6H2,1-3H3
InChIKey
UMYZWICEDUEWIM-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)CC(=O)C
Isomeric Smiles
COc1c(OC)cc(CC(=O)C)cc1
Calculated Properties
JChem
Acid pKa
15.4929905
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.625277
LogD (pH = 7.4)
1.625277
Log P
1.625277
Molar Refractivity
53.8431
Polarizability
20.95975
Polar Surface Area
35.53
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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