Molecule

ID:70586

General Information
Structure
Molecular Formula
C₁₀H₈O₂
Molecular Mass
160.16932
Exact Mass
160.0524295
Charge
0
InChI
InChI=1S/C10H8O2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,11-12H
InChIKey
OENHRRVNRZBNNS-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc2c1c(O)ccc2
Isomeric Smiles
c1(cccc2cccc(c12)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.34
LogD (pH = 5.5)
2.36
Log P
2.36
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.92
Polar Surface Area
40.46
Polarizability
16.30
Molar Refractivity
46.47
LOG S
-2.47
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
Molecule Details
References
Bioactivity
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