Molecule

ID:54515

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrI₂N
Molecular Mass
409.78902
Exact Mass
408.74600707
Charge
0
InChI
InChI=1S/C5H2BrI2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey
XUTYGXLWMSAZAA-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)I)I
Isomeric Smiles
c1(cnc(c(c1)I)I)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4148026
LogD (pH = 7.4)
3.4148026
Log P
3.4148026
Molar Refractivity
57.957
Polarizability
23.52761
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