Molecule

ID:110797

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₆N₄
Molecular Mass
312.36784
Exact Mass
312.13749653
Charge
0
InChI
InChI=1S/C20H16N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-16H
InChIKey
CWGBFIRHYJNILV-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)[N-]c1nn(c[n+]1c1ccccc1)c1ccccc1
Isomeric Smiles
[N-](c1ccccc1)c1nn(c[n+]1c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.3966427
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.951992
LogD (pH = 7.4)
3.9834142
Log P
2.4955745
Molar Refractivity
103.7228
Polarizability
37.552628
Polar Surface Area
30.93
Rotatable Bonds
4
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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