Molecule

ID:65165

General Information
Structure
MolImage
Molecular Formula
C₃HBrClNS
Molecular Mass
198.46874
Exact Mass
196.87015972
Charge
0
InChI
InChI=1S/C3HBrClNS/c4-2-1-7-3(5)6-2/h1H
InChIKey
MVMBHCWTANPPTC-UHFFFAOYSA-N
Canonic Smiles
Brc1csc(n1)Cl
Isomeric Smiles
s1cc(nc1Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5203276
LogD (pH = 7.4)
2.5203276
Log P
2.5203276
Molar Refractivity
34.7573
Polarizability
13.360559
Polar Surface Area
12.89
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
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References
Bioactivity
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