Molecule

ID:82363

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₄O₂
Molecular Mass
192.17472
Exact Mass
192.06472552
Charge
0
InChI
InChI=1S/C8H8N4O2/c1-4-3-6-9-10-7(8(13)14)5(2)12(6)11-4/h3H,1-2H3,(H,13,14)
InChIKey
JFCXJLMOHOXSTO-UHFFFAOYSA-N
Canonic Smiles
Cc1nn2c(c1)nnc(c2C)C(=O)O
Isomeric Smiles
n1nc(c(n2c1cc(n2)C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.100517
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-2.3587322
LogD (pH = 7.4)
-3.4192457
Log P
-0.2511938
Molar Refractivity
60.2623
Polarizability
17.50275
Polar Surface Area
80.38
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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