Molecule

ID:84430

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₆
Molecular Mass
140.14652
Exact Mass
140.08104429
Charge
0
InChI
InChI=1S/C4H8N6/c1-2-7-3(5)9-4(8-2)10-6/h6H2,1H3,(H3,5,7,8,9,10)
InChIKey
BKPMVMXSQLPERF-UHFFFAOYSA-N
Canonic Smiles
NNc1nc(C)nc(n1)N
Isomeric Smiles
n1c(nc(nc1N)C)NN
Calculated Properties
JChem
Acid pKa
15.036453
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-1.9923067
LogD (pH = 7.4)
-0.9221978
Log P
0.12089357
Molar Refractivity
41.4451
Polarizability
13.1893215
Polar Surface Area
102.74
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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