Molecule

ID:97070

General Information
Structure
Molecular Formula
C₇H₄BrF₃S
Molecular Mass
257.0708696
Exact Mass
255.91691779
Charge
0
InChI
InChI=1S/C7H4BrF3S/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
InChIKey
OLHXBVBNFOHXOB-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)SC(F)(F)F
Isomeric Smiles
Brc1cc(ccc1)SC(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.710725
LogD (pH = 7.4)
4.710725
Log P
4.710725
Molar Refractivity
46.6663
Polarizability
17.666916
Polar Surface Area
0.0
Rotatable Bonds
2
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
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References
Bioactivity
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