Molecule

ID:89144

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₄OS
Molecular Mass
184.21892
Exact Mass
184.0418819
Charge
0
InChI
InChI=1S/C6H8N4OS/c1-12-6-9-2-3(5(8)11)4(7)10-6/h2H,1H3,(H2,8,11)(H2,7,9,10)
InChIKey
AONIFFIPDOWSDB-UHFFFAOYSA-N
Canonic Smiles
CSc1ncc(c(n1)N)C(=O)N
Isomeric Smiles
n1c(nc(c(c1)C(=O)N)N)SC
Calculated Properties
JChem
Acid pKa
12.956104
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.58084136
LogD (pH = 7.4)
0.6223538
Log P
0.6229105
Molar Refractivity
49.5195
Polarizability
17.501183
Polar Surface Area
94.89
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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