Molecule

ID:90593

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrClO₂S
Molecular Mass
269.54334
Exact Mass
267.89604011
Charge
0
InChI
InChI=1S/C7H6BrClO2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,1H3
InChIKey
OYSAFEFFWRNQJF-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)S(=O)(=O)Cl)C
Isomeric Smiles
S(=O)(=O)(c1c(ccc(c1)Br)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2017229
LogD (pH = 7.4)
3.2017229
Log P
3.2017229
Molar Refractivity
52.9162
Polarizability
21.138048
Polar Surface Area
34.14
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