Molecule

ID:10344

General Information
Structure
Molecular Formula
C₄HBrCl₂O₂S₂
Molecular Mass
295.98954
Exact Mass
293.79783863
Charge
0
InChI
InChI=1S/C4HBrCl2O2S2/c5-2-1-3(6)10-4(2)11(7,8)9/h1H
InChIKey
IJWGXKAPAGXFRO-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(c(s1)S(=O)(=O)Cl)Br
Isomeric Smiles
s1c(c(cc1Cl)Br)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4047801
LogD (pH = 7.4)
3.4047801
Log P
3.4047801
Molar Refractivity
48.1054
Polarizability
20.4178
Polar Surface Area
34.14
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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