Molecule

ID:10362

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClO₄S₂
Molecular Mass
240.6845
Exact Mass
239.93177832
Charge
0
InChI
InChI=1S/C6H5ClO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3
InChIKey
PJVJBDAUWILEOG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sccc1S(=O)(=O)Cl
Isomeric Smiles
c1(S(=O)(=O)Cl)c(C(=O)OC)scc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8359072
LogD (pH = 7.4)
1.8359072
Log P
1.8359072
Molar Refractivity
49.1674
Polarizability
19.7866
Polar Surface Area
60.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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