Molecule

ID:24685

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂N₂O₂
Molecular Mass
264.27868
Exact Mass
264.08987763
Charge
0
InChI
InChI=1S/C16H12N2O2/c19-16(20)14-11-18(13-9-5-2-6-10-13)17-15(14)12-7-3-1-4-8-12/h1-11H,(H,19,20)
InChIKey
OTDDCLPBNWLJLH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cn(nc1c1ccccc1)c1ccccc1
Isomeric Smiles
c1(c(nn(c1)c1ccccc1)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.361116
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6208514
LogD (pH = 7.4)
0.33628273
Log P
3.749723
Molar Refractivity
76.4401
Polarizability
30.72428
Polar Surface Area
55.12
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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