Molecule

ID:35088

General Information
Structure
MolImage
Molecular Formula
C₈H₃Cl₄NO₃S
Molecular Mass
334.99132
Exact Mass
332.85877468
Charge
0
InChI
InChI=1S/C8H3Cl4NO3S/c9-5-2-3(17(12,15)16)1-4-6(5)13-7(14)8(4,10)11/h1-2H,(H,13,14)
InChIKey
WIHKHQNZSLWVCD-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2c(C1(Cl)Cl)cc(cc2Cl)S(=O)(=O)Cl
Isomeric Smiles
c12C(C(=O)Nc1c(cc(S(=O)(=O)Cl)c2)Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
10.705842
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.2572582
LogD (pH = 7.4)
3.2570567
Log P
3.2572606
Molar Refractivity
68.5397
Polarizability
26.513378
Polar Surface Area
63.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
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Molecule Details
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References
Bioactivity
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