Molecule

ID:65491

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrO₂S
Molecular Mass
221.0717
Exact Mass
219.9193624
Charge
0
InChI
InChI=1S/C6H5BrO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
InChIKey
PEGSJNCGPSIJOX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sccc1Br
Isomeric Smiles
c1(c(ccs1)Br)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6583567
LogD (pH = 7.4)
2.6583567
Log P
2.6583567
Molar Refractivity
42.596
Polarizability
16.508696
Polar Surface Area
26.3
Rotatable Bonds
2
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