Molecule

ID:59367

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀O₂
Molecular Mass
234.2494
Exact Mass
234.06807956
Charge
0
InChI
InChI=1S/C16H10O2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-10H
InChIKey
SBRUFOSORMQHES-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c2ccccc2c(c2c1cccc2)C=O
Isomeric Smiles
c1ccc2c(c1)c(c1c(c2C=O)cccc1)C=O
Calculated Properties
JChem
LogD (pH = 7.4)
3.38
LogD (pH = 5.5)
3.38
Log P
3.38
Rotatable Bonds
2
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-6.92
Polar Surface Area
34.14
Polarizability
24.73
Molar Refractivity
72.13
LOG S
-5.07
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
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References
Bioactivity
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