Molecule

ID:18031

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₄
Molecular Mass
112.13312
Exact Mass
112.07489628
Charge
0
InChI
InChI=1S/C4H8N4/c1-3-6-4(5)7-8(3)2/h1-2H3,(H2,5,7)
InChIKey
IUOZPYYXZYMRIJ-UHFFFAOYSA-N
Canonic Smiles
Nc1nn(c(n1)C)C
Isomeric Smiles
n1c(nn(c1C)C)N
Calculated Properties
JChem
Acid pKa
15.639573
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.31374592
LogD (pH = 7.4)
-0.31250483
Log P
-0.31248897
Molar Refractivity
43.2226
Polarizability
10.95154
Polar Surface Area
56.73
Rotatable Bonds
0
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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