Molecule

ID:83758

General Information
Structure
Molecular Formula
C₁₂H₁₂N₄
Molecular Mass
212.25048
Exact Mass
212.1061964
Charge
0
InChI
InChI=1S/C12H12N4/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2
InChIKey
JJHMECBCPWRGMR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1/N=N/c1ccccc1N
Isomeric Smiles
N(=N\c1c(cccc1)N)/c1ccccc1N
Calculated Properties
JChem
Acid pKa
17.910957
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.7212563
LogD (pH = 7.4)
2.7212873
Log P
2.7212875
Molar Refractivity
69.7778
Polarizability
23.84957
Polar Surface Area
76.76
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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