Molecule

ID:7367

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClNO₂S₂
Molecular Mass
261.74832
Exact Mass
260.96849818
Charge
0
InChI
InChI=1S/C9H8ClNO2S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3,(H2,11,12,13)
InChIKey
CGMQMZKLIJYAKX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(C)c(s2)S(=O)(=O)N
Isomeric Smiles
c1(C)c2c(sc1S(=O)(=O)N)ccc(c2)Cl
Calculated Properties
JChem
Acid pKa
9.073858
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7386608
LogD (pH = 7.4)
2.7307048
Log P
2.7387633
Molar Refractivity
60.5619
Polarizability
25.46357
Polar Surface Area
60.16
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
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Molecule Details
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References
Bioactivity
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