Molecule

ID:101498

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇BrOS
Molecular Mass
267.14168
Exact Mass
265.94009784
Charge
0
InChI
InChI=1S/C11H7BrOS/c12-10-5-6-14-11(10)9-3-1-8(7-13)2-4-9/h1-7H
InChIKey
BTYZFUJFFBNJTP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1sccc1Br
Isomeric Smiles
c1(c(ccs1)Br)c1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8788743
LogD (pH = 7.4)
3.8788743
Log P
3.8788743
Molar Refractivity
62.2909
Polarizability
24.547503
Polar Surface Area
17.07
Rotatable Bonds
2
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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