Molecule

ID:92513

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,11H,5-6H2
InChIKey
QBEGKDXITSPUTE-UHFFFAOYSA-N
Canonic Smiles
OCCc1coc2c1cccc2
Isomeric Smiles
o1cc(c2c1cccc2)CCO
Calculated Properties
JChem
Acid pKa
15.698297
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6536807
LogD (pH = 7.4)
1.6536807
Log P
1.6536807
Molar Refractivity
46.47
Polarizability
18.941746
Polar Surface Area
33.37
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
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Molecule Details
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References
Bioactivity
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