Molecule

ID:64638

General Information
Structure
MolImage
Molecular Formula
C₅H₈BrCl₂N₃
Molecular Mass
260.94712
Exact Mass
258.92786463
Charge
0
InChI
InChI=1S/C5H6BrN3.2ClH/c6-3-1-4(7)5(8)9-2-3;;/h1-2H,7H2,(H2,8,9);2*1H
InChIKey
AJILRHFBXYEZMC-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)N)N.Cl.Cl
Isomeric Smiles
n1c(c(cc(c1)Br)N)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.17054418
LogD (pH = 7.4)
0.45559326
Log P
0.46093163
Molar Refractivity
41.2382
Polarizability
14.643752
Polar Surface Area
64.93
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