Molecule

ID:64057

General Information
Structure
MolImage
Molecular Formula
C₃HBrClNS
Molecular Mass
198.46874
Exact Mass
196.87015972
Charge
0
InChI
InChI=1S/C3HBrClNS/c4-2-1-6-3(5)7-2/h1H
InChIKey
DKJFZOGJTDCZQU-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(s1)Cl
Isomeric Smiles
s1c(cnc1Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4808009
LogD (pH = 7.4)
2.4808016
Log P
2.4808016
Molar Refractivity
33.075
Polarizability
13.345413
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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