Molecule

ID:54931

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrClN₂S
Molecular Mass
249.51548
Exact Mass
247.88105875
Charge
0
InChI
InChI=1S/C6H2BrClN2S/c7-4-1-3-5(11-4)6(8)10-2-9-3/h1-2H
InChIKey
RJKAKJGOZXERRE-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2c(s1)c(Cl)ncn2
Isomeric Smiles
c1nc2c(c(n1)Cl)sc(c2)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0705807
LogD (pH = 7.4)
3.070581
Log P
3.070581
Molar Refractivity
48.3392
Polarizability
19.657568
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