Molecule

ID:113705

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₄S
Molecular Mass
194.2568
Exact Mass
194.06261734
Charge
0
InChI
InChI=1S/C8H10N4S/c1-4-5(2)13-8-6(4)7(12-9)10-3-11-8/h3H,9H2,1-2H3,(H,10,11,12)
InChIKey
CQLQBEQLDPCGHF-UHFFFAOYSA-N
Canonic Smiles
NNc1ncnc2c1c(C)c(s2)C
Isomeric Smiles
c12c(c(c(s1)C)C)c(ncn2)NN
Calculated Properties
JChem
Acid pKa
18.603188
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.419733
LogD (pH = 7.4)
2.4383624
Log P
2.4386046
Molar Refractivity
56.1327
Polarizability
20.141796
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
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Molecule Details
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References
Bioactivity
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