Molecule

ID:51592

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrFN₂
Molecular Mass
200.9958832
Exact Mass
199.93853829
Charge
0
InChI
InChI=1S/C6H2BrFN2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H
InChIKey
HMURQOFNWZWERT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncc(cc1F)Br
Isomeric Smiles
c1(cnc(c(c1)F)C#N)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9089744
LogD (pH = 7.4)
1.9089744
Log P
1.9089744
Molar Refractivity
37.0899
Polarizability
14.061926
Polar Surface Area
36.68
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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