Molecule

ID:69326

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₄O₂
Molecular Mass
164.12156
Exact Mass
164.03342539
Charge
0
InChI
InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
InChIKey
UYEUUXMDVNYCAM-UHFFFAOYSA-N
Canonic Smiles
Oc1nc2nccnc2c(n1)O
Isomeric Smiles
n1c(nc(c2nccnc12)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.28
LogD (pH = 5.5)
0.36
Log P
0.37
Rotatable Bonds
0
H Donor
2
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
8.05
Polar Surface Area
92.02
Polarizability
14.01
Molar Refractivity
39.91
LOG S
-0.72
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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