Molecule

ID:68543

General Information
Structure
MolImage
Molecular Formula
C₇H₂BrF₂N
Molecular Mass
217.9982864
Exact Mass
216.93386751
Charge
0
InChI
InChI=1S/C7H2BrF2N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
InChIKey
TZHQWUAOIWRFSW-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)cc(cc1F)Br
Isomeric Smiles
C(#N)c1c(cc(cc1F)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8834984
LogD (pH = 7.4)
2.8834984
Log P
2.8834984
Molar Refractivity
39.8352
Polarizability
14.737649
Polar Surface Area
23.79
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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