Molecule

ID:41108

General Information
Structure
MolImage
Molecular Formula
C₂H₆N₆
Molecular Mass
114.10924
Exact Mass
114.06539422
Charge
0
InChI
InChI=1S/C2H6N6/c3-1-6-7-2(4)8(1)5/h5H2,(H2,3,6)(H2,4,7)
InChIKey
JJGGIYYGVKGMQZ-UHFFFAOYSA-N
Canonic Smiles
Nc1nnc(n1N)N
Isomeric Smiles
n1(c(nnc1N)N)N
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.3630168
LogD (pH = 7.4)
-2.360657
Log P
-2.3606267
Molar Refractivity
33.4712
Polarizability
9.816586
Polar Surface Area
108.77
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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