Molecule

ID:68184

General Information
Structure
MolImage
Molecular Formula
C₃HBrClNS
Molecular Mass
198.46874
Exact Mass
196.87015972
Charge
0
InChI
InChI=1S/C3HBrClNS/c4-3-6-1-2(5)7-3/h1H
InChIKey
FYKOEXGDJNPHQV-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(s1)Br
Isomeric Smiles
s1c(ncc1Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4661455
LogD (pH = 7.4)
2.4661462
Log P
2.4661465
Molar Refractivity
32.8559
Polarizability
13.35288
Polar Surface Area
12.89
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