Molecule

ID:102982

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O
Molecular Mass
144.16992
Exact Mass
144.05751488
Charge
0
InChI
InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
InChIKey
KJCVRFUGPWSIIH-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc2c1cccc2
Isomeric Smiles
Oc1c2ccccc2ccc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.66
LogD (pH = 5.5)
2.66
Log P
2.66
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.60
Polar Surface Area
20.23
Polarizability
15.45
Molar Refractivity
44.49
LOG S
-2.86
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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