Molecule

ID:75619

General Information
Structure
Molecular Formula
C₁₀H₉BrN₂O₂S
Molecular Mass
301.15966
Exact Mass
299.95681054
Charge
0
InChI
InChI=1S/C10H9BrN2O2S/c1-8-6-13(7-12-8)16(14,15)10-5-3-2-4-9(10)11/h2-7H,1H3
InChIKey
CEUSAKOLFNCHJC-UHFFFAOYSA-N
Canonic Smiles
Cc1ncn(c1)S(=O)(=O)c1ccccc1Br
Isomeric Smiles
n1cn(cc1C)S(=O)(=O)c1ccccc1Br
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6720114
LogD (pH = 7.4)
1.6841156
Log P
1.6842726
Molar Refractivity
64.2474
Polarizability
25.536535
Polar Surface Area
51.96
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