Molecule

ID:92505

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClO₃S
Molecular Mass
166.58282
Exact Mass
165.94914264
Charge
0
InChI
InChI=1S/C4H3ClO3S/c5-9(6,7)4-1-2-8-3-4/h1-3H
InChIKey
PCBBEIXTVWWTAK-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1cocc1
Isomeric Smiles
o1cc(cc1)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0597943
LogD (pH = 7.4)
1.0597943
Log P
1.0597943
Molar Refractivity
32.7656
Polarizability
13.457073
Polar Surface Area
47.28
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
No Data Available
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Molecule Details
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References
Bioactivity
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