Molecule
ID:79859
General Information
Molecular Formula
C₁₃H₈O₂
Molecular Mass
196.20142
Exact Mass
196.0524295
Charge
0
InChI
InChI=1S/C13H8O2/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11/h1-7,14H
InChIKey
QUUNMPSDKIURJD-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc2c1C(=O)c1c2cccc1
Isomeric Smiles
O=C1c2c(cccc2c2c1cccc2)O
Calculated Properties
JChem
Acid pKa
8.502034
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4525843
LogD (pH = 7.4)
3.4202204
Log P
3.4530132
Molar Refractivity
57.6926
Polarizability
23.259262
Polar Surface Area
37.3
Rotatable Bonds
0
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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