Molecule

ID:81077

General Information
Structure
MolImage
Molecular Formula
C₃H₅Cl₃N₂O₂S
Molecular Mass
239.508
Exact Mass
237.91373145
Charge
0
InChI
InChI=1S/C3H5Cl3N2O2S/c1-11(9,10)8-2(7)3(4,5)6/h1H3,(H2,7,8)
InChIKey
QXJHHGVHWGJCLE-UHFFFAOYSA-N
Canonic Smiles
N=C(C(Cl)(Cl)Cl)NS(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(NC(=N)C(Cl)(Cl)Cl)C
Calculated Properties
JChem
Acid pKa
6.4294186
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.17589197
LogD (pH = 7.4)
-0.48125535
Log P
0.21840873
Molar Refractivity
55.6194
Polarizability
18.276478
Polar Surface Area
70.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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