Molecule
ID:58440
General Information
Molecular Formula
C₁₆H₁₂N₂
Molecular Mass
232.27988
Exact Mass
232.10004839
Charge
0
InChI
InChI=1S/C16H12N2/c1-3-7-15-11(5-1)13(9-17-15)14-10-18-16-8-4-2-6-12(14)16/h1-10,17-18H
InChIKey
WHJMXLYLQPXPSY-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)c(c[nH]2)c1c[nH]c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(c[nH]2)c1c[nH]c2ccccc12
Calculated Properties
JChem
Acid pKa
15.360207
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
3.817995
LogD (pH = 7.4)
3.817995
Log P
3.817995
Molar Refractivity
73.3672
Polarizability
32.087616
Polar Surface Area
31.58
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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