Molecule

ID:10124

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClO₄S
Molecular Mass
244.6516
Exact Mass
243.95970732
Charge
0
InChI
InChI=1S/C9H5ClO4S/c10-15(12,13)7-2-3-8-6(5-7)1-4-9(11)14-8/h1-5H
InChIKey
HQIPMBGUDSOVEA-UHFFFAOYSA-N
Canonic Smiles
O=c1ccc2c(o1)ccc(c2)S(=O)(=O)Cl
Isomeric Smiles
c1(ccc2c(c1)ccc(=O)o2)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7296627
LogD (pH = 7.4)
1.7296627
Log P
1.7296627
Molar Refractivity
55.7428
Polarizability
21.855043
Polar Surface Area
60.44
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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