Molecule

ID:64164

General Information
Structure
MolImage
Molecular Formula
C₃H₂BrNS
Molecular Mass
164.02368
Exact Mass
162.90913207
Charge
0
InChI
InChI=1S/C3H2BrNS/c4-3-1-5-2-6-3/h1-2H
InChIKey
DWUPYMSVAPQXMS-UHFFFAOYSA-N
Canonic Smiles
Brc1cncs1
Isomeric Smiles
s1c(cnc1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5667733
LogD (pH = 7.4)
1.566787
Log P
1.5667872
Molar Refractivity
28.0491
Polarizability
11.230097
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
References
Bioactivity
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