Molecule

ID:41975

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrOS
Molecular Mass
191.04572
Exact Mass
189.90879772
Charge
0
InChI
InChI=1S/C5H3BrOS/c6-5-3-8-2-4(5)1-7/h1-3H
InChIKey
ZDVHJQOCVBTMOF-UHFFFAOYSA-N
Canonic Smiles
Brc1cscc1C=O
Isomeric Smiles
c1(c(csc1)Br)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2349427
LogD (pH = 7.4)
2.2349427
Log P
2.2349427
Molar Refractivity
37.3706
Polarizability
13.928932
Polar Surface Area
17.07
Rotatable Bonds
1
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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