Molecule

ID:67741

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrClN₂
Molecular Mass
231.47706
Exact Mass
229.92463782
Charge
0
InChI
InChI=1S/C7H4BrClN2/c8-5-3-6(9)7-10-1-2-11(7)4-5/h1-4H
InChIKey
FYUCIRHQXQEOJW-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Cl)c2n(c1)ccn2
Isomeric Smiles
c12c(cc(cn1ccn2)Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8070443
LogD (pH = 7.4)
2.1256156
Log P
2.1323466
Molar Refractivity
48.364
Polarizability
18.137306
Polar Surface Area
17.3
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