Molecule

ID:36702

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₄S
Molecular Mass
156.20882
Exact Mass
156.04696728
Charge
0
InChI
InChI=1S/C5H8N4S/c1-2-10-5-8-3-7-4(6)9-5/h3H,2H2,1H3,(H2,6,7,8,9)
InChIKey
AVBKNGJOMAVMNK-UHFFFAOYSA-N
Canonic Smiles
CCSc1ncnc(n1)N
Isomeric Smiles
n1cnc(nc1N)SCC
Calculated Properties
JChem
Acid pKa
15.430337
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.2641319
LogD (pH = 7.4)
1.2656064
Log P
1.2656252
Molar Refractivity
44.6707
Polarizability
15.577679
Polar Surface Area
64.69
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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