Molecule

ID:87612

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrNS
Molecular Mass
188.04508
Exact Mass
186.90913207
Charge
0
InChI
InChI=1S/C5H2BrNS/c6-5-3-8-2-4(5)1-7/h2-3H
InChIKey
RTOSSMAWCKNWFX-UHFFFAOYSA-N
Canonic Smiles
Brc1cscc1C#N
Isomeric Smiles
s1cc(c(c1)C#N)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3785367
LogD (pH = 7.4)
2.3785367
Log P
2.3785367
Molar Refractivity
36.5082
Polarizability
13.822176
Polar Surface Area
23.79
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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