Molecule

ID:100808

General Information
Structure
MolImage
Molecular Formula
C₅HBrF₃N
Molecular Mass
211.9673496
Exact Mass
210.9244457
Charge
0
InChI
InChI=1S/C5HBrF3N/c6-3-2(7)1-10-5(9)4(3)8/h1H
InChIKey
FSEIUJXQVPRMHU-UHFFFAOYSA-N
Canonic Smiles
Fc1ncc(c(c1F)Br)F
Isomeric Smiles
n1c(c(c(c(c1)F)Br)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3463626
LogD (pH = 7.4)
2.3463626
Log P
2.3463626
Molar Refractivity
33.1878
Polarizability
12.157262
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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