Molecule

ID:8566

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClO₂S
Molecular Mass
226.67938
Exact Mass
225.98552814
Charge
0
InChI
InChI=1S/C10H7ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey
DASJFYAPNPUBGG-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1cccc2c1cccc2
Isomeric Smiles
c12c(cccc1)cccc2S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9090257
LogD (pH = 7.4)
2.9090257
Log P
2.9090257
Molar Refractivity
56.7024
Polarizability
23.845245
Polar Surface Area
34.14
Rotatable Bonds
1
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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