Molecule

ID:77175

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇BrS
Molecular Mass
239.13158
Exact Mass
237.94518322
Charge
0
InChI
InChI=1S/C10H7BrS/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-7H
InChIKey
GBJBSICXZXSQAJ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccccc1c1cccs1
Isomeric Smiles
s1cccc1c1ccccc1Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.166372
LogD (pH = 7.4)
4.166372
Log P
4.166372
Molar Refractivity
55.7069
Polarizability
22.609413
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