Molecule

ID:50867

General Information
Structure
MolImage
Molecular Formula
C₅HBrF₃N
Molecular Mass
211.9673496
Exact Mass
210.9244457
Charge
0
InChI
InChI=1S/C5HBrF3N/c6-4-2(7)1-3(8)5(9)10-4/h1H
InChIKey
GTOTXPOTRNIDLC-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(nc1F)Br
Isomeric Smiles
c1(c(cc(c(n1)F)F)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5518844
LogD (pH = 7.4)
2.5518844
Log P
2.5518844
Molar Refractivity
34.03
Polarizability
12.19652
Polar Surface Area
12.89
Rotatable Bonds
0
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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