Molecule

ID:78041

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO₃S
Molecular Mass
207.63474
Exact Mass
206.97569174
Charge
0
InChI
InChI=1S/C6H6ClNO3S/c1-11-6-3-2-5(4-8-6)12(7,9)10/h2-4H,1H3
InChIKey
OMLIVJOTRYWHNY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cn1)S(=O)(=O)Cl
Isomeric Smiles
n1c(ccc(c1)S(=O)(=O)Cl)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1386627
LogD (pH = 7.4)
1.1386627
Log P
1.1386627
Molar Refractivity
44.872
Polarizability
18.13998
Polar Surface Area
56.26
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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