Molecule

ID:78544

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂O₂S
Molecular Mass
206.64998
Exact Mass
205.99167615
Charge
0
InChI
InChI=1S/C6H7ClN2O2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H2,9,10,11)
InChIKey
RBCLOSOKWLMKMB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)S(=O)(=O)N)N
Isomeric Smiles
S(=O)(=O)(c1c(ccc(c1)Cl)N)N
Calculated Properties
JChem
Acid pKa
9.822361
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.35437068
LogD (pH = 7.4)
0.35294336
Log P
0.3543953
Molar Refractivity
47.7211
Polarizability
18.718145
Polar Surface Area
86.18
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
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Molecule Details
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References
Bioactivity
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