Molecule

ID:76465

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈O₂
Molecular Mass
184.19072
Exact Mass
184.0524295
Charge
0
InChI
InChI=1S/C12H8O2/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-8H
InChIKey
XUFLAVKRRLBIMV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c2c1cccc2)C=O
Isomeric Smiles
O=Cc1ccc(c2ccccc12)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3877273
LogD (pH = 7.4)
2.3877273
Log P
2.3877273
Molar Refractivity
55.6762
Polarizability
21.662529
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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