Molecule

ID:33644

General Information
Structure
Molecular Formula
C₇H₇BrO₂S
Molecular Mass
235.09828
Exact Mass
233.93501246
Charge
0
InChI
InChI=1S/C7H7BrO2S/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,4H2,1H3
InChIKey
GFOPHLFSDVVYGB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(s1)CBr
Isomeric Smiles
c1(sc(cc1)CBr)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.794781
LogD (pH = 7.4)
2.794781
Log P
2.794781
Molar Refractivity
47.6077
Polarizability
18.203201
Polar Surface Area
26.3
Rotatable Bonds
3
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