Molecule

ID:41267

General Information
Structure
Molecular Formula
C₄H₈N₄S
Molecular Mass
144.19812
Exact Mass
144.04696728
Charge
0
InChI
InChI=1S/C4H8N4S/c1-8-4(9-2)6-3(5)7-8/h1-2H3,(H2,5,7)
InChIKey
GHBGCSIFUKEXTC-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(nc1SC)N
Isomeric Smiles
n1c(n(nc1N)C)SC
Calculated Properties
JChem
Acid pKa
15.217442
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8768875
LogD (pH = 7.4)
0.87691313
Log P
0.8769134
Molar Refractivity
51.0141
Polarizability
14.098933
Polar Surface Area
56.73
Rotatable Bonds
1
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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