Molecule

ID:64928

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrClNS
Molecular Mass
248.52742
Exact Mass
246.88580978
Charge
0
InChI
InChI=1S/C7H3BrClNS/c8-5-3-10-7(9)4-1-2-11-6(4)5/h1-3H
InChIKey
AXJKCXXTMCUWLS-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c2c1scc2)Cl
Isomeric Smiles
n1cc(c2sccc2c1Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2245727
LogD (pH = 7.4)
3.2245727
Log P
3.2245727
Molar Refractivity
50.7301
Polarizability
20.41051
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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