Molecule

ID:66019

General Information
Structure
MolImage
Molecular Formula
C₆H₄BrF₂N
Molecular Mass
208.0034664
Exact Mass
206.94951757
Charge
0
InChI
InChI=1S/C6H4BrF2N/c7-5-3-4(6(8)9)1-2-10-5/h1-3,6H
InChIKey
IAFLELWFIHZCGT-UHFFFAOYSA-N
Canonic Smiles
Brc1nccc(c1)C(F)F
Isomeric Smiles
c1(cc(ccn1)C(F)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.118911
LogD (pH = 7.4)
2.1189356
Log P
2.118936
Molar Refractivity
37.4501
Polarizability
13.976713
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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