Molecule

ID:78289

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrNS
Molecular Mass
188.04508
Exact Mass
186.90913207
Charge
0
InChI
InChI=1S/C5H2BrNS/c6-4-1-2-8-5(4)3-7/h1-2H
InChIKey
RNIRKEQGYHHNSE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1sccc1Br
Isomeric Smiles
s1c(c(cc1)Br)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.510976
LogD (pH = 7.4)
2.510976
Log P
2.510976
Molar Refractivity
36.2923
Polarizability
13.830814
Polar Surface Area
23.79
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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