Molecule

ID:53860

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrN₂S
Molecular Mass
215.07042
Exact Mass
213.92003111
Charge
0
InChI
InChI=1S/C6H3BrN2S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H
InChIKey
LLCRUZDFDGTAAN-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)nsn2
Isomeric Smiles
c1c(cc2c(c1)nsn2)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8856273
LogD (pH = 7.4)
2.8856275
Log P
2.8856275
Molar Refractivity
44.1632
Polarizability
17.626451
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