Molecule

ID:110447

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂
Molecular Mass
208.25848
Exact Mass
208.10004839
Charge
0
InChI
InChI=1S/C14H12N2/c1-9-10(2)12-6-4-8-16-14(12)13-11(9)5-3-7-15-13/h3-8H,1-2H3
InChIKey
BRPQDJPJBCQFSR-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C)c2cccnc2c2c1cccn2
Isomeric Smiles
Cc1c(C)c2c(nccc2)c2c1cccn2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1630287
LogD (pH = 7.4)
3.31306
Log P
3.315398
Molar Refractivity
63.983
Polarizability
27.291067
Polar Surface Area
25.78
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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