Molecule

ID:69172

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrIN₃
Molecular Mass
323.91659
Exact Mass
322.85550711
Charge
0
InChI
InChI=1S/C6H3BrIN3/c7-5-6-10-3-4(8)11(6)2-1-9-5/h1-3H
InChIKey
NOZCLAVGNUXSGX-UHFFFAOYSA-N
Canonic Smiles
Brc1nccn2c1ncc2I
Isomeric Smiles
c12c(nccn1c(cn2)I)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7996165
LogD (pH = 7.4)
1.7996793
Log P
1.79968
Molar Refractivity
53.9059
Polarizability
20.987991
Polar Surface Area
30.19
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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