Molecule

ID:31130

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₄
Molecular Mass
160.17592
Exact Mass
160.07489628
Charge
0
InChI
InChI=1S/C8H8N4/c9-7-2-1-3-8(4-7)12-5-10-11-6-12/h1-6H,9H2
InChIKey
WPGPBPCIYBWYMQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)n1cnnc1
Isomeric Smiles
n1(c2cc(N)ccc2)cnnc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.09433289
LogD (pH = 7.4)
-0.053513538
Log P
-0.052967306
Molar Refractivity
58.923
Polarizability
17.67154
Polar Surface Area
56.73
Rotatable Bonds
1
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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