Molecule

ID:10352

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClO₅S
Molecular Mass
236.6296
Exact Mass
235.95462194
Charge
0
InChI
InChI=1S/C7H5ClO5S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChIKey
SJXHSFSHNKFRLN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(ccc1O)S(=O)(=O)Cl
Isomeric Smiles
c1c(ccc(c1C(=O)O)O)S(=O)(=O)Cl
Calculated Properties
JChem
Acid pKa
2.4275734
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.0191802
LogD (pH = 7.4)
-1.5916458
Log P
1.9235665
Molar Refractivity
49.4893
Polarizability
19.573275
Polar Surface Area
91.67
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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