Molecule

ID:30987

General Information
Structure
MolImage
Molecular Formula
CH₄N₆
Molecular Mass
100.08266
Exact Mass
100.04974416
Charge
0
InChI
InChI=1S/CH4N6/c2-1-4-5-6-7(1)3/h3H2,(H2,2,4,6)
InChIKey
XMGWNAIPGOPSNX-UHFFFAOYSA-N
Canonic Smiles
Nn1nnnc1N
Isomeric Smiles
n1(c(nnn1)N)N
Calculated Properties
JChem
Acid pKa
15.807155
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.8812478
LogD (pH = 7.4)
-1.8812394
Log P
-1.8812393
Molar Refractivity
37.2957
Polarizability
7.876235
Polar Surface Area
95.64
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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