Molecule

ID:108086

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₂
Molecular Mass
160.16932
Exact Mass
160.0524295
Charge
0
InChI
InChI=1S/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H
InChIKey
DFQICHCWIIJABH-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)cc(cc2)O
Isomeric Smiles
Oc1cc2cc(O)ccc2cc1
Calculated Properties
JChem
Acid pKa
9.469076
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3555455
LogD (pH = 7.4)
2.351918
Log P
2.355592
Molar Refractivity
46.47
Polarizability
19.071024
Polar Surface Area
40.46
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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