Molecule
ID:52191
General Information
Molecular Formula
C₁₃H₁₁NO₂
Molecular Mass
213.23194
Exact Mass
213.0789786
Charge
0
InChI
InChI=1S/C13H11NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9H,14H2
InChIKey
ZBFSYQBEXZGTAX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1N)Oc1ccccc1
Isomeric Smiles
C(=O)(c1c(N)cccc1)Oc1ccccc1
Calculated Properties
JChem
Acid pKa
19.292559
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4556155
LogD (pH = 7.4)
3.4557536
Log P
3.4557552
Molar Refractivity
62.5613
Polarizability
23.620415
Polar Surface Area
52.32
Rotatable Bonds
3
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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