Molecule

ID:72770

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄NaO
Molecular Mass
159.10123
Exact Mass
159.02828005
Charge
0
InChI
InChI=1S/C5H4N4O.Na/c10-5-3-1-8-9-4(3)6-2-7-5;/h1-2H,(H2,6,7,8,9,10);
InChIKey
AZJYSALMGIGGDH-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]cnc2c1cn[nH]2.[Na]
Isomeric Smiles
c1nc2c(c(=O)[nH]1)cn[nH]2.[Na]
Calculated Properties
JChem
Acid pKa
8.871503
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.88196087
LogD (pH = 7.4)
-0.89559996
Log P
-0.8817832
Molar Refractivity
35.8401
Polarizability
11.920649
Polar Surface Area
70.14
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
References
Bioactivity
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