Molecule

ID:33657

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄O₂
Molecular Mass
178.22766
Exact Mass
178.09937969
Charge
0
InChI
InChI=1S/C11H14O2/c1-7-5-10(9(3)12)6-8(2)11(7)13-4/h5-6H,1-4H3
InChIKey
OZNRJDZKCCJUJO-UHFFFAOYSA-N
Canonic Smiles
COc1c(C)cc(cc1C)C(=O)C
Isomeric Smiles
c1(cc(c(c(c1)C)OC)C)C(=O)C
Calculated Properties
JChem
Acid pKa
16.33686
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.400065
LogD (pH = 7.4)
2.400065
Log P
2.400065
Molar Refractivity
53.0064
Polarizability
20.108618
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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