Molecule

ID:18902

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrOS
Molecular Mass
205.0723
Exact Mass
203.92444778
Charge
0
InChI
InChI=1S/C6H5BrOS/c1-4(8)6-5(7)2-3-9-6/h2-3H,1H3
InChIKey
ZUXPELAHJQSZTE-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1sccc1Br
Isomeric Smiles
c1(c(ccs1)Br)C(=O)C
Calculated Properties
JChem
Acid pKa
14.549798
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2125273
LogD (pH = 7.4)
2.2125273
Log P
2.2125273
Molar Refractivity
40.9735
Polarizability
15.718119
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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