Molecule

ID:5251

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₂
Molecular Mass
160.16932
Exact Mass
160.0524295
Charge
0
InChI
InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H
InChIKey
NXPPAOGUKPJVDI-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1O)cccc2
Isomeric Smiles
Oc1ccc2c(c1O)cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
2.35
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
9.04
Polar Surface Area
40.46
Polarizability
16.40
Molar Refractivity
46.47
LOG S
-2.47
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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