Molecule

ID:91926

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄O₂
Molecular Mass
156.14262
Exact Mass
156.06472552
Charge
0
InChI
InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9)
InChIKey
NAOHMNNTUFFTBF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1nnn[nH]1
Isomeric Smiles
n1nnc([nH]1)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
5.326173
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.0013286269
LogD (pH = 7.4)
-1.0632789
Log P
0.37740305
Molar Refractivity
38.4953
Polarizability
13.682872
Polar Surface Area
80.76
Rotatable Bonds
4
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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