Molecule

ID:22271

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrClFN
Molecular Mass
210.4314832
Exact Mass
208.90431697
Charge
0
InChI
InChI=1S/C5H2BrClFN/c6-3-1-4(8)5(7)9-2-3/h1-2H
InChIKey
OEKXUEWGXWCENG-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)F)Cl
Isomeric Smiles
c1(cnc(c(c1)F)Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4912498
LogD (pH = 7.4)
2.4912498
Log P
2.4912498
Molar Refractivity
37.6064
Polarizability
14.272589
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
No Data Available
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Molecule Details
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References
Bioactivity
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