Molecule

ID:69033

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrFN
Molecular Mass
190.0130032
Exact Mass
188.95893939
Charge
0
InChI
InChI=1S/C6H5BrFN/c1-4-2-5(8)3-9-6(4)7/h2-3H,1H3
InChIKey
QLBXFAJGMGFVCN-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)C)Br
Isomeric Smiles
c1(c(cc(cn1)F)C)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3859708
LogD (pH = 7.4)
2.3859713
Log P
2.3859713
Molar Refractivity
37.6237
Polarizability
13.940389
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
References
Bioactivity
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