Molecule

ID:74793

General Information
Structure
MolImage
Molecular Formula
C₄H₆Cl₂O₄S₂
Molecular Mass
253.12404
Exact Mass
251.90845603
Charge
0
InChI
InChI=1S/C4H6Cl2O4S2/c5-3-1-11(7,8)2-4(3)12(6,9)10/h3-4H,1-2H2
InChIKey
MGAGGUDFPOFTNO-UHFFFAOYSA-N
Canonic Smiles
ClC1CS(=O)(=O)CC1S(=O)(=O)Cl
Isomeric Smiles
S1(=O)(=O)CC(Cl)C(C1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.44621804
LogD (pH = 7.4)
-0.44621804
Log P
-0.44621804
Molar Refractivity
44.6363
Polarizability
19.880577
Polar Surface Area
68.28
Rotatable Bonds
1
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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