Molecule

ID:16276

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrIN
Molecular Mass
283.89249
Exact Mass
282.8493591
Charge
0
InChI
InChI=1S/C5H3BrIN/c6-4-1-5(7)3-8-2-4/h1-3H
InChIKey
AOOZLVWDZUPEHT-UHFFFAOYSA-N
Canonic Smiles
Brc1cncc(c1)I
Isomeric Smiles
c1(cncc(c1)Br)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4531927
LogD (pH = 7.4)
2.4532695
Log P
2.4532704
Molar Refractivity
44.8864
Polarizability
17.824322
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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