Molecule

ID:102292

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈O
Molecular Mass
144.16992
Exact Mass
144.05751488
Charge
0
InChI
InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
InChIKey
JWAZRIHNYRIHIV-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)cccc2
Isomeric Smiles
Oc1ccc2ccccc2c1
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
9.78
Polar Surface Area
20.23
Polarizability
15.56
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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