Molecule
ID:70781
General Information
Molecular Formula
C₇H₃BrIN
Molecular Mass
307.91389
Exact Mass
306.8493591
Charge
0
InChI
InChI=1S/C7H3BrIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKey
LXIBANSYVFWOAR-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Br)cccc1I
Isomeric Smiles
C(#N)c1c(cccc1I)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.527039
LogD (pH = 7.4)
3.527039
Log P
3.527039
Molar Refractivity
52.7649
Polarizability
20.439322
Polar Surface Area
23.79
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...