Molecule

ID:98636

General Information
Structure
MolImage
Molecular Formula
C₈H₃BrF₃NS
Molecular Mass
282.0803296
Exact Mass
280.91216676
Charge
0
InChI
InChI=1S/C8H3BrF3NS/c9-6-2-1-3-7(5(6)4-13)14-8(10,11)12/h1-3H
InChIKey
LPVPKZKZISEIIP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cccc1Br)SC(F)(F)F
Isomeric Smiles
Brc1cccc(c1C#N)SC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5668206
LogD (pH = 7.4)
4.5668206
Log P
4.5668206
Molar Refractivity
52.3879
Polarizability
19.545544
Polar Surface Area
23.79
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
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Molecule Details
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References
Bioactivity
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