Molecule

ID:70839

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂O₂S
Molecular Mass
216.6448
Exact Mass
215.97602609
Charge
0
InChI
InChI=1S/C7H5ClN2O2S/c8-13(11,12)6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
InChIKey
OHNCNPVNTFTJLX-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1ccc2c(c1)cn[nH]2
Isomeric Smiles
[nH]1ncc2cc(ccc12)S(=O)(=O)Cl
Calculated Properties
JChem
Acid pKa
10.686267
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2426026
LogD (pH = 7.4)
1.2423916
Log P
1.2426107
Molar Refractivity
50.2673
Polarizability
20.698587
Polar Surface Area
62.82
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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