Molecule

ID:34793

General Information
Structure
MolImage
Molecular Formula
C₄BrCl₃O₂S₂
Molecular Mass
330.4346
Exact Mass
327.75886628
Charge
0
InChI
InChI=1S/C4BrCl3O2S2/c5-1-2(12(8,9)10)4(7)11-3(1)6
InChIKey
NAHZODWKWDZKSZ-UHFFFAOYSA-N
Canonic Smiles
Clc1sc(c(c1S(=O)(=O)Cl)Br)Cl
Isomeric Smiles
c1(S(=O)(=O)Cl)c(c(sc1Cl)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.008825
LogD (pH = 7.4)
4.008825
Log P
4.008825
Molar Refractivity
52.9102
Polarizability
22.507874
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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