Molecule

ID:66364

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃O₂
Molecular Mass
139.1121
Exact Mass
139.03817642
Charge
0
InChI
InChI=1S/C5H5N3O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H2,6,8)(H,9,10)
InChIKey
ZAGZIOYVEIDDJA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nccnc1N
Isomeric Smiles
c1(c(nccn1)N)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9717236
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.5414114
LogD (pH = 7.4)
-3.179115
Log P
-0.0031342283
Molar Refractivity
33.6423
Polarizability
12.14713
Polar Surface Area
89.1
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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