Molecule

ID:16301

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrF₃N
Molecular Mass
225.9939296
Exact Mass
224.94009576
Charge
0
InChI
InChI=1S/C6H3BrF3N/c7-5-1-4(2-11-3-5)6(8,9)10/h1-3H
InChIKey
HEDHNDVPKRVQPN-UHFFFAOYSA-N
Canonic Smiles
FC(c1cncc(c1)Br)(F)F
Isomeric Smiles
c1(cncc(c1)Br)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.401846
LogD (pH = 7.4)
2.4021704
Log P
2.4021745
Molar Refractivity
37.4976
Polarizability
13.940896
Polar Surface Area
12.89
Rotatable Bonds
1
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
References
Bioactivity
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