Molecule

ID:77126

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClO₂S₂
Molecular Mass
246.73368
Exact Mass
245.95759914
Charge
0
InChI
InChI=1S/C9H7ClO2S2/c1-6-2-3-8-7(4-6)5-9(13-8)14(10,11)12/h2-5H,1H3
InChIKey
YGGJYXHTCDQVDB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)cc(s2)S(=O)(=O)Cl
Isomeric Smiles
s1c(cc2c1ccc(c2)C)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.474991
LogD (pH = 7.4)
3.474991
Log P
3.474991
Molar Refractivity
57.7934
Polarizability
24.33298
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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