Molecule

ID:54657

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₄
Molecular Mass
148.16522
Exact Mass
148.07489628
Charge
0
InChI
InChI=1S/C7H8N4/c1-11-7-3-2-5(8)4-6(7)9-10-11/h2-4H,8H2,1H3
InChIKey
QSESSKWYDOHYAW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nnn2C
Isomeric Smiles
n1nc2c(n1C)ccc(c2)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5951974
LogD (pH = 7.4)
0.5960218
Log P
0.59603226
Molar Refractivity
53.9745
Polarizability
16.663036
Polar Surface Area
56.73
Rotatable Bonds
0
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
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References
Bioactivity
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