Molecule

ID:84013

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂N₂O₂
Molecular Mass
264.27868
Exact Mass
264.08987763
Charge
0
InChI
InChI=1S/C16H12N2O2/c19-15-13(17-11-7-3-1-4-8-11)14(16(15)20)18-12-9-5-2-6-10-12/h1-10,17-18H
InChIKey
CIDRCQIUUYZBSG-UHFFFAOYSA-N
Canonic Smiles
O=C1C(=C(C1=O)Nc1ccccc1)Nc1ccccc1
Isomeric Smiles
N(C1=C(Nc2ccccc2)C(=O)C1=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
10.959771
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.6325636
LogD (pH = 7.4)
2.6324513
Log P
2.632565
Molar Refractivity
80.7762
Polarizability
28.736233
Polar Surface Area
58.2
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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