Molecule

ID:58709

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂N₂
Molecular Mass
232.27988
Exact Mass
232.10004839
Charge
0
InChI
InChI=1S/C16H12N2/c17-11-14-6-7-16-15(10-14)8-9-18(16)12-13-4-2-1-3-5-13/h1-10H,12H2
InChIKey
XZCSETGZSGBGCI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(c1)ccn2Cc1ccccc1
Isomeric Smiles
c1(ccc2c(c1)ccn2Cc1ccccc1)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8762531
LogD (pH = 7.4)
3.8762531
Log P
3.8762531
Molar Refractivity
72.3754
Polarizability
28.834372
Polar Surface Area
28.72
Rotatable Bonds
2
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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