Molecule

ID:87607

General Information
Structure
Molecular Formula
C₅H₄BrCl₂NO₂S
Molecular Mass
292.96576
Exact Mass
290.85231673
Charge
0
InChI
InChI=1S/C5H3BrClNO2S.ClH/c6-4-1-5(3-8-2-4)11(7,9)10;/h1-3H;1H
InChIKey
YDXZUVLGYGROKT-UHFFFAOYSA-N
Canonic Smiles
Brc1cncc(c1)S(=O)(=O)Cl.Cl
Isomeric Smiles
n1cc(cc(c1)Br)S(=O)(=O)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.470629
LogD (pH = 7.4)
1.4706291
Log P
1.4706291
Molar Refractivity
45.7181
Polarizability
18.645227
Polar Surface Area
47.03
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