Molecule

ID:28596

General Information
Structure
Molecular Formula
C₇H₇ClO₂S₂
Molecular Mass
222.71228
Exact Mass
221.95759914
Charge
0
InChI
InChI=1S/C7H7ClO2S2/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3
InChIKey
ZCCHKGQZUSPUGJ-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(SC)cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.547766
LogD (pH = 7.4)
2.547766
Log P
2.547766
Molar Refractivity
53.0111
Polarizability
21.279335
Polar Surface Area
34.14
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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