Molecule

ID:45016

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrClN
Molecular Mass
192.44102
Exact Mass
190.91373878
Charge
0
InChI
InChI=1S/C5H3BrClN/c6-4-1-2-8-3-5(4)7/h1-3H
InChIKey
CXXVUKYIBWZKHL-UHFFFAOYSA-N
Canonic Smiles
Clc1cnccc1Br
Isomeric Smiles
c1cncc(c1Br)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.128146
LogD (pH = 7.4)
2.128368
Log P
2.1283708
Molar Refractivity
36.3287
Polarizability
14.303148
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