Molecule

ID:122754

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀Cl₂N₂O₂S
Molecular Mass
245.1268
Exact Mass
243.98400393
Charge
0
InChI
InChI=1S/C6H9ClN2O2S.ClH/c1-4-6(12(7,10)11)5(2)9(3)8-4;/h1-3H3;1H
InChIKey
NIQBSGRUIVPSHL-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(c(c1C)S(=O)(=O)Cl)C.Cl
Isomeric Smiles
c1(S(=O)(=O)Cl)c(nn(c1C)C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6782207
LogD (pH = 7.4)
0.6783389
Log P
0.6783404
Molar Refractivity
58.8968
Polarizability
18.612732
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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