Molecule

ID:86071

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₄
Molecular Mass
160.17592
Exact Mass
160.07489628
Charge
0
InChI
InChI=1S/C8H8N4/c9-12-8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,9H2,(H,11,12)
InChIKey
GULVDPYLWVXKGC-UHFFFAOYSA-N
Canonic Smiles
NNc1cnc2c(n1)cccc2
Isomeric Smiles
n1c(cnc2ccccc12)NN
Calculated Properties
JChem
Acid pKa
18.904676
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.2164248
LogD (pH = 7.4)
1.2842406
Log P
1.2851785
Molar Refractivity
47.4706
Polarizability
18.63255
Polar Surface Area
63.83
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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