Molecule

ID:67140

General Information
Structure
MolImage
Molecular Formula
C₅H₄BrFN₂
Molecular Mass
191.0010632
Exact Mass
189.95418836
Charge
0
InChI
InChI=1S/C5H4BrFN2/c6-4-1-3(7)2-9-5(4)8/h1-2H,(H2,8,9)
InChIKey
KXSQMCRVUAALNE-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)Br)N
Isomeric Smiles
c1(c(cc(cn1)F)Br)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4322315
LogD (pH = 7.4)
1.4325554
Log P
1.4325595
Molar Refractivity
36.7542
Polarizability
13.369248
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation