Molecule

ID:39886

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrOS
Molecular Mass
191.04572
Exact Mass
189.90879772
Charge
0
InChI
InChI=1S/C5H3BrOS/c6-4-1-2-8-5(4)3-7/h1-3H
InChIKey
BCZHCWCOQDRYGS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sccc1Br
Isomeric Smiles
c1(c(ccs1)Br)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.367382
LogD (pH = 7.4)
2.367382
Log P
2.367382
Molar Refractivity
37.1547
Polarizability
13.932575
Polar Surface Area
17.07
Rotatable Bonds
1
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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