Molecule

ID:78598

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁NO₂
Molecular Mass
213.23194
Exact Mass
213.0789786
Charge
0
InChI
InChI=1S/C13H11NO2/c1-16-13(15)11-7-8-12(14-9-11)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
DXHZSBAEWGPUKI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(nc1)c1ccccc1
Isomeric Smiles
n1cc(ccc1c1ccccc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7914696
LogD (pH = 7.4)
2.7921178
Log P
2.792126
Molar Refractivity
60.6906
Polarizability
24.826805
Polar Surface Area
39.19
Rotatable Bonds
3
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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