Molecule

ID:88164

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c1-12-10-4-2-3-7-8(10)5-6-9(7)11/h2-4H,5-6H2,1H3
InChIKey
BTYSYELHQDGJAB-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1CCC2=O
Isomeric Smiles
O=C1c2cccc(c2CC1)OC
Calculated Properties
JChem
Acid pKa
15.6831875
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
17.687881
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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