Molecule

ID:95138

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrClFN
Molecular Mass
210.4314832
Exact Mass
208.90431697
Charge
0
InChI
InChI=1S/C5H2BrClFN/c6-4-1-3(7)2-9-5(4)8/h1-2H
InChIKey
FKHJIEHQWOYVQM-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(c(c1)Br)F
Isomeric Smiles
n1c(c(cc(c1)Cl)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6650033
LogD (pH = 7.4)
2.6650033
Log P
2.6650033
Molar Refractivity
37.5598
Polarizability
14.214641
Polar Surface Area
12.89
Rotatable Bonds
0
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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