Molecule

ID:24973

General Information
Structure
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c19-16(20)11-18-14-9-5-4-8-13(14)17-15(18)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)
InChIKey
YGQSPVGSEYRMNB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1c(Cc2ccccc2)nc2c1cccc2
Isomeric Smiles
c1(n(c2c(n1)cccc2)CC(=O)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
4.125707
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4367001
LogD (pH = 7.4)
0.06682879
Log P
1.550781
Molar Refractivity
75.1124
Polarizability
30.200651
Polar Surface Area
55.12
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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