Molecule

ID:76057

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrOS
Molecular Mass
193.0616
Exact Mass
191.92444778
Charge
0
InChI
InChI=1S/C5H5BrOS/c6-5-3-8-2-4(5)1-7/h2-3,7H,1H2
InChIKey
MPKBPMYJCDNVEF-UHFFFAOYSA-N
Canonic Smiles
OCc1cscc1Br
Isomeric Smiles
s1cc(c(c1)Br)CO
Calculated Properties
JChem
Acid pKa
14.42606
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7550906
LogD (pH = 7.4)
1.7550906
Log P
1.7550906
Molar Refractivity
37.6025
Polarizability
14.449795
Polar Surface Area
20.23
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
Molecule Details
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References
Bioactivity
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