Molecule

ID:77934

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉BrS
Molecular Mass
253.15816
Exact Mass
251.96083329
Charge
0
InChI
InChI=1S/C11H9BrS/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h1-7H,8H2
InChIKey
GGYCIKURJBHUER-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)Cc1cccs1
Isomeric Smiles
Brc1ccc(cc1)Cc1cccs1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.746674
LogD (pH = 7.4)
4.746674
Log P
4.746674
Molar Refractivity
60.4619
Polarizability
23.065226
Polar Surface Area
0.0
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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