Molecule

ID:34260

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO₃S₂
Molecular Mass
205.25468
Exact Mass
204.98673509
Charge
0
InChI
InChI=1S/C6H7NO3S2/c8-4-3-7-12(9,10)5-1-2-11-6(4)5/h1-2,4,7-8H,3H2
InChIKey
KEPIKQKCKNDGKJ-UHFFFAOYSA-N
Canonic Smiles
OC1CNS(=O)(=O)c2c1scc2
Isomeric Smiles
s1ccc2c1C(CNS2(=O)=O)O
Calculated Properties
JChem
Acid pKa
9.281103
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.1633373
LogD (pH = 7.4)
-0.1682964
Log P
-0.16327362
Molar Refractivity
44.5196
Polarizability
18.029976
Polar Surface Area
66.4
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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