Molecule

ID:28503

General Information
Structure
Molecular Formula
C₅H₄ClNO₄S₂
Molecular Mass
241.67256
Exact Mass
240.92702729
Charge
0
InChI
InChI=1S/C5H4ClNO4S2/c6-3-1-2(13(7,10)11)4(12-3)5(8)9/h1H,(H,8,9)(H2,7,10,11)
InChIKey
DLCJPZJBDWBNQJ-UHFFFAOYSA-N
Canonic Smiles
Clc1sc(c(c1)S(=O)(=O)N)C(=O)O
Isomeric Smiles
c1(c(sc(c1)Cl)C(=O)O)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
3.0578947
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4897723
LogD (pH = 7.4)
-2.5560954
Log P
0.9197815
Molar Refractivity
46.3267
Polarizability
18.987444
Polar Surface Area
97.46
Rotatable Bonds
2
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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