Molecule

ID:76883

General Information
Structure
MolImage
Molecular Formula
C₃H₆N₄S
Molecular Mass
130.17154
Exact Mass
130.03131721
Charge
0
InChI
InChI=1S/C3H6N4S/c1-7-3(8)5-2(4)6-7/h1H3,(H3,4,5,6,8)
InChIKey
VHROJGUDAHQRLS-UHFFFAOYSA-N
Canonic Smiles
Nc1nn(c(n1)S)C
Isomeric Smiles
n1c(n(C)nc1N)S
Calculated Properties
JChem
Acid pKa
7.328887
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.3357193
LogD (pH = 7.4)
0.022622932
Log P
0.34190348
Molar Refractivity
46.265
Polarizability
12.271681
Polar Surface Area
56.73
Rotatable Bonds
0
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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