Molecule

ID:73518

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Br₂NO₂S
Molecular Mass
391.07836
Exact Mass
388.87207353
Charge
0
InChI
InChI=1S/C12H9Br2NO2S/c1-2-17-12(16)10-6-18-11(15-10)7-3-8(13)5-9(14)4-7/h3-6H,2H2,1H3
InChIKey
OFWMLVYVJATYNS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)c1cc(Br)cc(c1)Br
Isomeric Smiles
n1c(c2cc(cc(c2)Br)Br)scc1C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7404485
LogD (pH = 7.4)
4.7404494
Log P
4.7404494
Molar Refractivity
88.0155
Polarizability
30.504688
Polar Surface Area
39.19
Rotatable Bonds
4
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