Molecule

ID:71864

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₄OS
Molecular Mass
158.18164
Exact Mass
158.02623183
Charge
0
InChI
InChI=1S/C4H6N4OS/c1-2-3(9)8(5)4(10)7-6-2/h5H2,1H3,(H,7,10)
InChIKey
BRTAAZXLXLRRFH-UHFFFAOYSA-N
Canonic Smiles
Sc1nnc(c(=O)n1N)C
Isomeric Smiles
c1(nnc(n(c1=O)N)S)C
Calculated Properties
JChem
Acid pKa
6.339263
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.2801961
LogD (pH = 7.4)
-1.0605428
Log P
-0.2254293
Molar Refractivity
39.6444
Polarizability
14.635306
Polar Surface Area
71.05
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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