Molecule

ID:91639

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₂
Molecular Mass
186.2066
Exact Mass
186.06807956
Charge
0
InChI
InChI=1S/C12H10O2/c1-9(13)10-4-6-11(7-5-10)12-3-2-8-14-12/h2-8H,1H3
InChIKey
DZYPVRCSWGDVFN-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)c1ccco1
Isomeric Smiles
o1cccc1c1ccc(cc1)C(=O)C
Calculated Properties
JChem
Acid pKa
15.935293
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2383654
LogD (pH = 7.4)
2.2383654
Log P
2.2383654
Molar Refractivity
53.9879
Polarizability
21.908064
Polar Surface Area
30.21
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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