Molecule

ID:135752

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₆
Molecular Mass
129.09790451
Exact Mass
129.07545874
Charge
0
InChI
InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)/i1+1,2+1,3+1
InChIKey
JDSHMPZPIAZGSV-VMIGTVKRSA-N
Canonic Smiles
N[13c]1n[13c](N)n[13c](n1)N
Isomeric Smiles
[13c]1(n[13c](n[13c](n1)N)N)N
Calculated Properties
JChem
Acid pKa
15.715591
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-2.521429
LogD (pH = 7.4)
-1.7199275
Log P
-0.59468776
Molar Refractivity
36.4608
Polarizability
11.179959
Polar Surface Area
116.73
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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