Molecule

ID:2902

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄
Molecular Mass
138.1704
Exact Mass
138.09054634
Charge
0
InChI
InChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)
InChIKey
OZOHTVFCSKFMLL-UHFFFAOYSA-N
Canonic Smiles
NCc1cnc(nc1N)C
Isomeric Smiles
Cc1ncc(CN)c(N)n1
Calculated Properties
JChem
LogD (pH = 7.4)
-1.41
LogD (pH = 5.5)
-3.17
Log P
-0.47
Rotatable Bonds
1
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
8.29
Polar Surface Area
77.82
Polarizability
14.61
Molar Refractivity
40.83
LOG S
0.08
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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