Molecule

ID:18020

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₄
Molecular Mass
112.13312
Exact Mass
112.07489628
Charge
0
InChI
InChI=1S/C4H8N4/c1-2-8-3-6-4(5)7-8/h3H,2H2,1H3,(H2,5,7)
InChIKey
IBUMUBQOWFBTFU-UHFFFAOYSA-N
Canonic Smiles
CCn1cnc(n1)N
Isomeric Smiles
n1c(nn(c1)CC)N
Calculated Properties
JChem
Acid pKa
15.38238
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.07898837
LogD (pH = 7.4)
-0.07874881
Log P
-0.078745745
Molar Refractivity
43.5305
Polarizability
11.026149
Polar Surface Area
56.73
Rotatable Bonds
1
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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