Molecule
ID:91637
General Information
Molecular Formula
C₁₂H₁₀O₂
Molecular Mass
186.2066
Exact Mass
186.06807956
Charge
0
InChI
InChI=1S/C12H10O2/c1-9(13)10-4-2-5-11(8-10)12-6-3-7-14-12/h2-8H,1H3
InChIKey
ZKPXNIUNJHWVOB-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccc(c1)c1ccco1
Isomeric Smiles
o1c(ccc1)c1cc(ccc1)C(=O)C
Calculated Properties
JChem
Acid pKa
15.961343
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
21.907175
Polar Surface Area
30.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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