Molecule

ID:59926

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₄S₂
Molecular Mass
334.3702
Exact Mass
334.00819881
Charge
0
InChI
InChI=1S/C14H10N2O4S2/c17-13(18)9-6-7-11-12(8-9)21-14(15-11)16-22(19,20)10-4-2-1-3-5-10/h1-8H,(H,15,16)(H,17,18)
InChIKey
GPGGYNNSOQAQIX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)sc(n2)NS(=O)(=O)c1ccccc1
Isomeric Smiles
S(=O)(=O)(Nc1nc2c(s1)cc(C(=O)O)cc2)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.8628695
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.2797923
LogD (pH = 7.4)
-0.8596932
Log P
2.94297
Molar Refractivity
80.6904
Polarizability
32.86595
Polar Surface Area
96.36
Rotatable Bonds
3
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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