Molecule

ID:77151

General Information
Structure
Molecular Formula
C₁₀H₇BrS
Molecular Mass
239.13158
Exact Mass
237.94518322
Charge
0
InChI
InChI=1S/C10H7BrS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
InChIKey
XKOJJKOSNQXQGP-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)c1cccs1
Isomeric Smiles
s1cccc1c1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.166372
LogD (pH = 7.4)
4.166372
Log P
4.166372
Molar Refractivity
55.7069
Polarizability
22.603539
Polar Surface Area
0.0
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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