Molecule

ID:64715

General Information
Structure
MolImage
Molecular Formula
C₆H₉BrClN₃
Molecular Mass
238.51276
Exact Mass
236.96683698
Charge
0
InChI
InChI=1S/C6H8BrN3.ClH/c7-5-3-9-6-4-8-1-2-10(5)6;/h3,8H,1-2,4H2;1H
InChIKey
DHCCQMBHQKWEMJ-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2n1CCNC2.Cl
Isomeric Smiles
n12c(cnc1CNCC2)Br.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4106052
LogD (pH = 7.4)
-0.11587261
Log P
0.0075503155
Molar Refractivity
41.9203
Polarizability
16.331284
Polar Surface Area
29.85
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