Molecule

ID:84173

General Information
Structure
MolImage
Molecular Formula
C₈H₇Br₂Cl₂NO₄S₂
Molecular Mass
475.98948
Exact Mass
472.75602907
Charge
0
InChI
InChI=1S/C8H7Br2Cl2NO4S2/c9-4-18(14,15)13(19(16,17)5-10)8-2-6(11)1-7(12)3-8/h1-3H,4-5H2
InChIKey
JBSLWRKLWFYJHA-UHFFFAOYSA-N
Canonic Smiles
BrCS(=O)(=O)N(S(=O)(=O)CBr)c1cc(Cl)cc(c1)Cl
Isomeric Smiles
N(c1cc(cc(c1)Cl)Cl)(S(=O)(=O)CBr)S(=O)(=O)CBr
Calculated Properties
JChem
Acid pKa
19.21202
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.955852
LogD (pH = 7.4)
2.955852
Log P
2.955852
Molar Refractivity
80.9067
Polarizability
33.53522
Polar Surface Area
71.52
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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