Molecule

ID:22239

General Information
Structure
MolImage
Molecular Formula
C₅H₄BrFN₂
Molecular Mass
191.0010632
Exact Mass
189.95418836
Charge
0
InChI
InChI=1S/C5H4BrFN2/c6-3-1-4(8)5(7)9-2-3/h1-2H,8H2
InChIKey
CLYOMCMDBNNGSM-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)N)F
Isomeric Smiles
c1(cnc(c(c1)N)F)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2320327
LogD (pH = 7.4)
1.2320327
Log P
1.2320327
Molar Refractivity
37.4554
Polarizability
13.365653
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