Molecule

ID:44009

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrClN₂
Molecular Mass
217.45048
Exact Mass
215.90898775
Charge
0
InChI
InChI=1S/C6H2BrClN2/c7-5-1-4(2-9)3-10-6(5)8/h1,3H
InChIKey
CYXYTFFWGHLPJE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc(c(c1)Br)Cl
Isomeric Smiles
c1c(cnc(c1Br)Cl)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.204644
LogD (pH = 7.4)
2.204644
Log P
2.204644
Molar Refractivity
43.1116
Polarizability
16.225227
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
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