Molecule

ID:7801

General Information
Structure
Molecular Formula
C₁₃H₁₁NO₂
Molecular Mass
213.23194
Exact Mass
213.0789786
Charge
0
InChI
InChI=1S/C13H11NO2/c15-12-8-4-7-11(9-12)14-13(16)10-5-2-1-3-6-10/h1-9,15H,(H,14,16)
InChIKey
SYNOBHNBCHZOHG-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)NC(=O)c1ccccc1
Isomeric Smiles
c1cccc(c1)C(=O)Nc1cc(ccc1)O
Calculated Properties
JChem
Acid pKa
9.228249
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7614846
LogD (pH = 7.4)
2.755203
Log P
2.7615652
Molar Refractivity
63.5724
Polarizability
23.539091
Polar Surface Area
49.33
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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