Molecule

ID:70742

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrIN₃
Molecular Mass
323.91659
Exact Mass
322.85550711
Charge
0
InChI
InChI=1S/C6H3BrIN3/c7-4-1-9-6-5(8)2-10-11(6)3-4/h1-3H
InChIKey
YYRFAUZQNJMKHU-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc2n(c1)ncc2I
Isomeric Smiles
c12ncc(cn1ncc2I)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3506637
LogD (pH = 7.4)
2.3506696
Log P
2.3506696
Molar Refractivity
64.7589
Polarizability
20.879652
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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