Molecule

ID:76764

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₄O
Molecular Mass
126.11664
Exact Mass
126.05416083
Charge
0
InChI
InChI=1S/C4H6N4O/c1-4(9)2-8-6-3-5-7-8/h3H,2H2,1H3
InChIKey
MBQGOHNTRNKILW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Cn1nncn1
Isomeric Smiles
n1(ncnn1)CC(=O)C
Calculated Properties
JChem
Acid pKa
17.782879
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.3360268
LogD (pH = 7.4)
-0.33602676
Log P
-0.33602676
Molar Refractivity
42.8608
Polarizability
11.105634
Polar Surface Area
60.67
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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