Molecule

ID:104182

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀N₂O₂
Molecular Mass
262.2628
Exact Mass
262.07422757
Charge
0
InChI
InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H
InChIKey
COHYTHOBJLSHDF-UHFFFAOYSA-N
Canonic Smiles
O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2
Isomeric Smiles
O=C1/C(=C/2\Nc3c(cccc3)C2=O)/Nc2c1cccc2
Calculated Properties
JChem
Acid pKa
8.179343
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.6514971
LogD (pH = 7.4)
2.583584
Log P
2.6523607
Molar Refractivity
80.041
Polarizability
27.96138
Polar Surface Area
58.2
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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