Molecule

ID:89996

General Information
Structure
Molecular Formula
C₅H₃BrIN
Molecular Mass
283.89249
Exact Mass
282.8493591
Charge
0
InChI
InChI=1S/C5H3BrIN/c6-4-2-1-3-5(7)8-4/h1-3H
InChIKey
KJOQMWRTNVBXEV-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(n1)I
Isomeric Smiles
n1c(cccc1I)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.69138
LogD (pH = 7.4)
2.69138
Log P
2.69138
Molar Refractivity
45.4367
Polarizability
17.938583
Polar Surface Area
12.89
Rotatable Bonds
0
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