Molecule

ID:68292

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrClN₂S
Molecular Mass
249.51548
Exact Mass
247.88105875
Charge
0
InChI
InChI=1S/C6H2BrClN2S/c7-3-2-11-4-1-9-6(8)10-5(3)4/h1-2H
InChIKey
OJKRQQNUFWOJAV-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc2c(n1)c(Br)cs2
Isomeric Smiles
c1(nc2c(cn1)scc2Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9889135
LogD (pH = 7.4)
2.9889135
Log P
2.9889135
Molar Refractivity
48.8118
Polarizability
19.671057
Polar Surface Area
25.78
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