Molecule

ID:84460

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₆
Molecular Mass
166.1838
Exact Mass
166.09669435
Charge
0
InChI
InChI=1S/C6H10N6/c7-5-9-4(3-1-2-3)10-6(11-5)12-8/h3H,1-2,8H2,(H3,7,9,10,11,12)
InChIKey
KUUQVVNKTZWOTC-UHFFFAOYSA-N
Canonic Smiles
NNc1nc(N)nc(n1)C1CC1
Isomeric Smiles
n1c(nc(nc1NN)N)C1CC1
Calculated Properties
JChem
Acid pKa
14.9878
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-1.1368108
LogD (pH = 7.4)
0.14132579
Log P
0.8360907
Molar Refractivity
48.8443
Polarizability
16.12736
Polar Surface Area
102.74
Rotatable Bonds
2
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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