Molecule

ID:7600

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrOS
Molecular Mass
205.0723
Exact Mass
203.92444778
Charge
0
InChI
InChI=1S/C6H5BrOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
InChIKey
IGBZCOWXSCWSHO-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(s1)Br
Isomeric Smiles
c1cc(sc1C(=O)C)Br
Calculated Properties
JChem
Acid pKa
14.826642
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3785233
LogD (pH = 7.4)
2.3785233
Log P
2.3785233
Molar Refractivity
40.1334
Polarizability
15.746966
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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