Molecule

ID:28153

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c1-11(19)12-6-8-13(9-7-12)20-10-16-17-14-4-2-3-5-15(14)18-16/h2-9H,10H2,1H3,(H,17,18)
InChIKey
BBWDXHPXLNPMPZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)OCc1nc2c([nH]1)cccc2
Isomeric Smiles
n1c([nH]c2c1cccc2)COc1ccc(C(=O)C)cc1
Calculated Properties
JChem
Acid pKa
11.173838
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3872902
LogD (pH = 7.4)
2.4560966
Log P
2.4571197
Molar Refractivity
75.7741
Polarizability
30.50472
Polar Surface Area
54.98
Rotatable Bonds
4
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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