Molecule
ID:121441
General Information
Molecular Formula
C₅H₁₁N₃O₂S₂
Molecular Mass
209.28974
Exact Mass
209.02926861
Charge
0
InChI
InChI=1S/C5H11N3O2S2/c6-8-5(11)7-4-1-2-12(9,10)3-4/h4H,1-3,6H2,(H2,7,8,11)
InChIKey
DZLRNGJAFXXMML-UHFFFAOYSA-N
Canonic Smiles
NNC(=S)NC1CCS(=O)(=O)C1
Isomeric Smiles
S1(=O)(=O)CC(NC(=S)NN)CC1
Calculated Properties
JChem
Acid pKa
13.87733
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.7705252
LogD (pH = 7.4)
-1.766729
Log P
-1.7666802
Molar Refractivity
51.0653
Polarizability
20.574812
Polar Surface Area
84.22
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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