Molecule

ID:18767

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄
Molecular Mass
138.1704
Exact Mass
138.09054634
Charge
0
InChI
InChI=1S/C6H10N4/c1-4-3-5(2)9-6(8-4)10-7/h3H,7H2,1-2H3,(H,8,9,10)
InChIKey
PHTHKSNCQCCOHM-UHFFFAOYSA-N
Canonic Smiles
NNc1nc(C)cc(n1)C
Isomeric Smiles
c1(nc(cc(n1)C)C)NN
Calculated Properties
JChem
Acid pKa
15.821194
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.94770586
LogD (pH = 7.4)
0.257142
Log P
0.38290444
Molar Refractivity
41.558
Polarizability
14.634796
Polar Surface Area
63.83
Rotatable Bonds
1
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
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References
Bioactivity
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