Molecule

ID:59923

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄S₂
Molecular Mass
298.3381
Exact Mass
298.00819881
Charge
0
InChI
InChI=1S/C11H10N2O4S2/c14-10(15)6-8-7-18-11(12-8)13-19(16,17)9-4-2-1-3-5-9/h1-5,7H,6H2,(H,12,13)(H,14,15)
InChIKey
XWVVEFTUTRSTAQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1csc(n1)NS(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(Nc1nc(CC(=O)O)cs1)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.2906094
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.38619128
LogD (pH = 7.4)
-2.1629193
Log P
1.8275526
Molar Refractivity
68.5075
Polarizability
27.325031
Polar Surface Area
96.36
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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