Molecule

ID:111102

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₂
Molecular Mass
166.21696
Exact Mass
166.09937969
Charge
0
InChI
InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey
WNJSKZBEWNVKGU-UHFFFAOYSA-N
Canonic Smiles
COC(Cc1ccccc1)OC
Isomeric Smiles
COC(Cc1ccccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1878848
LogD (pH = 7.4)
2.1878848
Log P
2.1878848
Molar Refractivity
48.2716
Polarizability
18.998024
Polar Surface Area
18.46
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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