Molecule

ID:118003

General Information
Structure
MolImage
Molecular Formula
C₉H₅BrFNS
Molecular Mass
258.1101032
Exact Mass
256.93101039
Charge
0
InChI
InChI=1S/C9H5BrFNS/c10-9-12-8(5-13-9)6-1-3-7(11)4-2-6/h1-5H
InChIKey
GSCFEPBWOIFTNA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1csc(n1)Br
Isomeric Smiles
n1c(csc1Br)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8718824
LogD (pH = 7.4)
3.8718834
Log P
3.8718834
Molar Refractivity
53.8718
Polarizability
21.643421
Polar Surface Area
12.89
Rotatable Bonds
1
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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