Molecule

ID:51916

General Information
Structure
MolImage
Molecular Formula
C₂H₄N₄S
Molecular Mass
116.14496
Exact Mass
116.01566715
Charge
0
InChI
InChI=1S/C2H4N4S/c1-6-4-2(7)3-5-6/h1H3,(H,4,7)
InChIKey
RLRIYDBAFPKSRC-UHFFFAOYSA-N
Canonic Smiles
Cn1nnc(n1)S
Isomeric Smiles
n1c(nnn1C)S
Calculated Properties
JChem
Acid pKa
8.642594
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6280567
LogD (pH = 7.4)
0.6051299
Log P
0.6283576
Molar Refractivity
41.1809
Polarizability
10.316267
Polar Surface Area
43.6
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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