Molecule

ID:67626

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrS
Molecular Mass
177.0622
Exact Mass
175.92953316
Charge
0
InChI
InChI=1S/C5H5BrS/c6-3-5-1-2-7-4-5/h1-2,4H,3H2
InChIKey
KBWHYRUAHXHHFO-UHFFFAOYSA-N
Canonic Smiles
BrCc1cscc1
Isomeric Smiles
c1c(ccs1)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.5264251
LogD (pH = 7.4)
2.5264251
Log P
2.5264251
Molar Refractivity
36.0142
Polarizability
13.63398
Polar Surface Area
0.0
Rotatable Bonds
1
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