Molecule

ID:131742

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O
Molecular Mass
146.16246199
Exact Mass
146.06075687
Charge
0
InChI
InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H/i10+2
InChIKey
KJCVRFUGPWSIIH-HRVHXUPCSA-N
Canonic Smiles
O[14c]1cccc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)ccc[14c]2O
Calculated Properties
JChem
Acid pKa
9.601542
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6591232
LogD (pH = 7.4)
2.6564522
Log P
2.6591573
Molar Refractivity
44.4891
Polarizability
18.54935
Polar Surface Area
20.23
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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