Molecule

ID:51027

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₂
Molecular Mass
174.1959
Exact Mass
174.06807956
Charge
0
InChI
InChI=1S/C11H10O2/c12-9-3-1-7-2-4-10-8(11(7)9)5-6-13-10/h2,4H,1,3,5-6H2
InChIKey
ZZUIZMWFNOKNLN-UHFFFAOYSA-N
Canonic Smiles
O=C1CCc2c1c1CCOc1cc2
Isomeric Smiles
c12c3c(OCC3)ccc2CCC1=O
Calculated Properties
JChem
Acid pKa
16.269213
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7187732
LogD (pH = 7.4)
1.7187732
Log P
1.7187732
Molar Refractivity
49.4985
Polarizability
18.723755
Polar Surface Area
26.3
Rotatable Bonds
0
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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