Molecule

ID:98837

General Information
Structure
MolImage
Molecular Formula
C₅HBrClF₃N₂
Molecular Mass
261.4270496
Exact Mass
259.89637238
Charge
0
InChI
InChI=1S/C5HBrClF3N2/c6-2-1-11-4(7)12-3(2)5(8,9)10/h1H
InChIKey
VTIPESROQQNDJL-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)C(F)(F)F)Br
Isomeric Smiles
n1c(nc(c(c1)Br)C(F)(F)F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9907372
LogD (pH = 7.4)
2.9907372
Log P
2.9907372
Molar Refractivity
41.4454
Polarizability
15.378446
Polar Surface Area
25.78
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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