Molecule

ID:110333

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O₂
Molecular Mass
160.16932
Exact Mass
160.0524295
Charge
0
InChI
InChI=1S/C10H8O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,11-12H
InChIKey
JRNGUTKWMSBIBF-UHFFFAOYSA-N
Canonic Smiles
Oc1cc2ccccc2cc1O
Isomeric Smiles
Oc1cc2c(cccc2)cc1O
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
9.10
Polar Surface Area
40.46
Polarizability
16.51
Molar Refractivity
46.47
LOG S
-2.47
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation