Molecule

ID:68048

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-12-8-3-4-9-7(6-8)2-5-10(9)11/h3-4,6H,2,5H2,1H3
InChIKey
QOPRWBRNMPANKN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)CCC2=O
Isomeric Smiles
C1(=O)CCc2cc(ccc12)OC
Calculated Properties
JChem
Acid pKa
16.253017
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6788847
LogD (pH = 7.4)
1.6788847
Log P
1.6788847
Molar Refractivity
46.1889
Polarizability
17.68714
Polar Surface Area
26.3
Rotatable Bonds
1
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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