Molecule

ID:15876

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉NO₂
Molecular Mass
211.21606
Exact Mass
211.06332853
Charge
0
InChI
InChI=1S/C13H9NO2/c15-13(16)11-7-9-6-5-8-3-1-2-4-10(8)12(9)14-11/h1-7,14H,(H,15,16)
InChIKey
BSJDLFRUFRONOR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2c([nH]1)c1ccccc1cc2
Isomeric Smiles
c1c([nH]c2c1ccc1c2cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5991967
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.74293613
LogD (pH = 7.4)
-0.70424443
Log P
2.6390686
Molar Refractivity
60.7284
Polarizability
25.44028
Polar Surface Area
53.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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