Molecule

ID:71798

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₃S
Molecular Mass
190.2202
Exact Mass
190.04121319
Charge
0
InChI
InChI=1S/C6H10N2O3S/c1-4-6(12(9,10)11)5(2)8(3)7-4/h1-3H3,(H,9,10,11)
InChIKey
PPZFWLBZGQWMEP-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(c(c1C)S(=O)(=O)O)C
Isomeric Smiles
n1(c(c(c(n1)C)S(=O)(=O)O)C)C
Calculated Properties
JChem
Acid pKa
-3.1129503
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.4633467
LogD (pH = 7.4)
-2.4634533
Log P
-2.398865
Molar Refractivity
55.3251
Polarizability
17.163198
Polar Surface Area
72.19
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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