Molecule

ID:83126

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClO₂S₂
Molecular Mass
210.70158
Exact Mass
209.95759914
Charge
0
InChI
InChI=1S/C6H7ClO2S2/c1-4-3-6(5(2)10-4)11(7,8)9/h3H,1-2H3
InChIKey
CMTPCYKEUFDVAU-UHFFFAOYSA-N
Canonic Smiles
Cc1sc(c(c1)S(=O)(=O)Cl)C
Isomeric Smiles
S(=O)(=O)(c1c(sc(c1)C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9917123
LogD (pH = 7.4)
2.9917123
Log P
2.9917123
Molar Refractivity
47.4706
Polarizability
18.696833
Polar Surface Area
34.14
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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