Molecule

ID:106695

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₅O
Molecular Mass
127.1047
Exact Mass
127.04940981
Charge
0
InChI
InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)
InChIKey
MASBWURJQFFLOO-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(N)nc(n1)O
Isomeric Smiles
Nc1nc(N)nc(O)n1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.07
LogD (pH = 5.5)
-0.10
Log P
-0.07
Rotatable Bonds
0
H Donor
3
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
4.32
Polar Surface Area
110.94
Polarizability
10.96
Molar Refractivity
33.74
LOG S
-1.46
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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