Molecule

ID:30498

General Information
Structure
MolImage
Molecular Formula
C₅H₆Cl₂N₂O₂S
Molecular Mass
229.08434
Exact Mass
227.9527038
Charge
0
InChI
InChI=1S/C5H6Cl2N2O2S/c1-3-4(12(7,10)11)5(6)9(2)8-3/h1-2H3
InChIKey
HWGVUNSKAPCFNF-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1S(=O)(=O)Cl)Cl)C
Isomeric Smiles
c1(c(n(nc1C)C)Cl)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.79781795
LogD (pH = 7.4)
0.7978342
Log P
0.7978344
Molar Refractivity
58.553
Polarizability
18.913517
Polar Surface Area
51.96
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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