Molecule

ID:19201

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClNO₂S₂
Molecular Mass
211.68964
Exact Mass
210.95284812
Charge
0
InChI
InChI=1S/C5H6ClNO2S2/c1-3-5(11(6,8)9)10-4(2)7-3/h1-2H3
InChIKey
GFFJSTHQILQFNQ-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(c(s1)S(=O)(=O)Cl)C
Isomeric Smiles
c1(S(=O)(=O)Cl)sc(nc1C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9987705
LogD (pH = 7.4)
0.99877244
Log P
0.9987725
Molar Refractivity
43.6527
Polarizability
17.908535
Polar Surface Area
47.03
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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