Molecule

ID:6835

General Information
Structure
Molecular Formula
C₄H₂BrClS
Molecular Mass
197.48068
Exact Mass
195.87491074
Charge
0
InChI
InChI=1S/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2H
InChIKey
ZFAJPWYXLYGUJU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(s1)Br
Isomeric Smiles
c1c(sc(c1)Cl)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.458477
LogD (pH = 7.4)
3.458477
Log P
3.458477
Molar Refractivity
33.9112
Polarizability
14.021719
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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