Molecule

ID:114061

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂N₂O₂
Molecular Mass
264.27868
Exact Mass
264.08987763
Charge
0
InChI
InChI=1S/C16H12N2O2/c19-16(20)15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
InChIKey
ASSWJYJXKAHOPX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1[nH]nc(c1)c1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(cc(n[nH]1)c1ccc(cc1)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1672134
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2260374
LogD (pH = 7.4)
0.08408231
Log P
3.5353148
Molar Refractivity
76.7795
Polarizability
31.423737
Polar Surface Area
65.98
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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