Molecule

ID:78225

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₄
Molecular Mass
160.17592
Exact Mass
160.07489628
Charge
0
InChI
InChI=1S/C8H8N4/c9-7-3-1-2-4-8(7)12-6-10-5-11-12/h1-6H,9H2
InChIKey
ZZBULULHFMWHMB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1n1cncn1
Isomeric Smiles
n1cncn1c1ccccc1N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.535464
LogD (pH = 7.4)
0.5435151
Log P
0.54361874
Molar Refractivity
48.2942
Polarizability
17.65909
Polar Surface Area
56.73
Rotatable Bonds
1
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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