Molecule

ID:122565

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂O₄S₂
Molecular Mass
250.2953
Exact Mass
250.00819881
Charge
0
InChI
InChI=1S/C7H10N2O4S2/c1-13-6(10)3-5-4-14-7(8-5)9-15(2,11)12/h4H,3H2,1-2H3,(H,8,9)
InChIKey
YUCYQPSSGYYJFM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1csc(n1)NS(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(Nc1nc(CC(=O)OC)cs1)C
Calculated Properties
JChem
Acid pKa
6.3026814
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.19687967
LogD (pH = 7.4)
-0.8867531
Log P
-0.14107955
Molar Refractivity
53.1276
Polarizability
21.799654
Polar Surface Area
85.36
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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