Molecule

ID:22191

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrOS
Molecular Mass
205.0723
Exact Mass
203.92444778
Charge
0
InChI
InChI=1S/C6H5BrOS/c7-3-6(8)5-1-2-9-4-5/h1-2,4H,3H2
InChIKey
TXEJYUFJFSPCHH-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1cscc1
Isomeric Smiles
c1(C(=O)CBr)cscc1
Calculated Properties
JChem
Acid pKa
15.027577
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0341744
LogD (pH = 7.4)
2.0341744
Log P
2.0341744
Molar Refractivity
41.3033
Polarizability
15.624704
Polar Surface Area
17.07
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