Molecule

ID:88437

General Information
Structure
MolImage
Molecular Formula
C₆H₄Cl₂O₃S₂
Molecular Mass
259.13016
Exact Mass
257.89789135
Charge
0
InChI
InChI=1S/C6H4Cl2O3S2/c1-13(10,11)3-2-12-5(4(3)7)6(8)9/h2H,1H3
InChIKey
XXPNDZHWWJGGSX-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1scc(c1Cl)S(=O)(=O)C
Isomeric Smiles
s1cc(S(=O)(=O)C)c(c1C(=O)Cl)Cl
Calculated Properties
JChem
Acid pKa
19.06618
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.521393
LogD (pH = 7.4)
1.521393
Log P
1.521393
Molar Refractivity
52.871
Polarizability
21.014223
Polar Surface Area
51.21
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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