Molecule

ID:75897

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrNS
Molecular Mass
188.04508
Exact Mass
186.90913207
Charge
0
InChI
InChI=1S/C5H2BrNS/c6-5-4(3-7)1-2-8-5/h1-2H
InChIKey
GHMDOVNPFWGFSZ-UHFFFAOYSA-N
Canonic Smiles
Brc1sccc1C#N
Isomeric Smiles
s1ccc(c1Br)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5445325
LogD (pH = 7.4)
2.5445325
Log P
2.5445325
Molar Refractivity
35.6681
Polarizability
13.852804
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
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Molecule Details
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References
Bioactivity
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