Molecule

ID:65737

General Information
Structure
Molecular Formula
C₅H₃BrOS
Molecular Mass
191.04572
Exact Mass
189.90879772
Charge
0
InChI
InChI=1S/C5H3BrOS/c6-5-2-1-4(3-7)8-5/h1-3H
InChIKey
GFBVUFQNHLUCPX-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(s1)C=O
Isomeric Smiles
c1(ccc(s1)C=O)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5333781
LogD (pH = 7.4)
2.5333781
Log P
2.5333781
Molar Refractivity
36.3146
Polarizability
13.960929
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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