Molecule
ID:22391
General Information
Molecular Formula
C₁₆H₁₂N₂
Molecular Mass
232.27988
Exact Mass
232.10004839
Charge
0
InChI
InChI=1S/C16H12N2/c1-3-7-13-11(5-1)9-15(17-13)16-10-12-6-2-4-8-14(12)18-16/h1-10,17-18H
InChIKey
FFBLFXFOMFDJLS-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)[nH]c(c2)c1cc2c([nH]1)cccc2
Isomeric Smiles
c1ccc2c(c1)cc([nH]2)c1[nH]c2c(c1)cccc2
Calculated Properties
JChem
Acid pKa
14.53726
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
3.6579974
LogD (pH = 7.4)
3.6579974
Log P
3.6579974
Molar Refractivity
73.1222
Polarizability
32.06673
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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