Molecule

ID:32964

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrCl₂N
Molecular Mass
226.88608
Exact Mass
224.87476643
Charge
0
InChI
InChI=1S/C5H2BrCl2N/c6-4-2-1-3(7)5(8)9-4/h1-2H
InChIKey
BBYIDUQXOFZISY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(n1)Cl)Cl
Isomeric Smiles
c1c(nc(c(c1)Cl)Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1581147
LogD (pH = 7.4)
3.1581147
Log P
3.1581147
Molar Refractivity
43.037
Polarizability
16.42225
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
References
Bioactivity
Navigation