Molecule

ID:55958

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₄
Molecular Mass
140.18628
Exact Mass
140.1061964
Charge
0
InChI
InChI=1S/C6H12N4/c1-3-5-8-9-6(4-2)10(5)7/h3-4,7H2,1-2H3
InChIKey
PLSFAHFBTFAYIR-UHFFFAOYSA-N
Canonic Smiles
CCc1nnc(n1N)CC
Isomeric Smiles
n1(c(nnc1CC)CC)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.42471212
LogD (pH = 7.4)
-0.42408177
Log P
-0.42407373
Molar Refractivity
43.259
Polarizability
14.619029
Polar Surface Area
56.73
Rotatable Bonds
2
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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