Molecule

ID:78237

General Information
Structure
MolImage
Molecular Formula
C₆H₉KN₂O₃S
Molecular Mass
228.31056
Exact Mass
227.99709484
Charge
0
InChI
InChI=1S/C6H10N2O3S.K/c7-8-5-1-3-6(4-2-5)12(9,10)11;/h1-4,8-11H,7H2;/q;+1/p-1
InChIKey
GUIGTSRHCXJNPI-UHFFFAOYSA-M
Canonic Smiles
NNc1ccc(cc1)S(O)(O)[O-].[K+]
Isomeric Smiles
S(c1ccc(cc1)NN)(O)(O)[O-].[K+]
Calculated Properties
JChem
Acid pKa
15.847954
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
0.18733174
LogD (pH = 7.4)
0.37286216
Log P
0.37582445
Molar Refractivity
47.5089
Polarizability
18.291527
Polar Surface Area
101.57
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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