Molecule

ID:101521

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁BrS
Molecular Mass
267.18474
Exact Mass
265.97648335
Charge
0
InChI
InChI=1S/C12H11BrS/c13-9-11-5-3-10(4-6-11)8-12-2-1-7-14-12/h1-7H,8-9H2
InChIKey
HYXPFBKVWGXSAZ-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1)Cc1cccs1
Isomeric Smiles
s1c(ccc1)Cc1ccc(cc1)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7506585
LogD (pH = 7.4)
4.7506585
Log P
4.7506585
Molar Refractivity
65.6895
Polarizability
24.795565
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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