Molecule

ID:76104

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClNO₂S₃
Molecular Mass
279.78674
Exact Mass
278.92491912
Charge
0
InChI
InChI=1S/C8H6ClNO2S3/c1-5-10-6(4-13-5)7-2-3-8(14-7)15(9,11)12/h2-4H,1H3
InChIKey
YIKNRCVJBOLZFL-UHFFFAOYSA-N
Canonic Smiles
Cc1scc(n1)c1ccc(s1)S(=O)(=O)Cl
Isomeric Smiles
s1c(ccc1c1csc(n1)C)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.67739
LogD (pH = 7.4)
2.677623
Log P
2.6776261
Molar Refractivity
60.7153
Polarizability
25.65261
Polar Surface Area
47.03
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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