Molecule

ID:97618

General Information
Structure
MolImage
Molecular Formula
C₅H₄BrFN₂
Molecular Mass
191.0010632
Exact Mass
189.95418836
Charge
0
InChI
InChI=1S/C5H4BrFN2/c6-5-4(8)1-3(7)2-9-5/h1-2H,8H2
InChIKey
QUZAKZBKMMUARE-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)N)Br
Isomeric Smiles
n1c(c(cc(c1)F)N)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0436237
LogD (pH = 7.4)
1.043624
Log P
1.043624
Molar Refractivity
37.2829
Polarizability
13.41432
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
暂无数据
点击上传数据
References
Bioactivity
Navigation