Molecule

ID:17871

General Information
Structure
MolImage
Molecular Formula
C₄H₂BrIN₂
Molecular Mass
284.88055
Exact Mass
283.84460807
Charge
0
InChI
InChI=1S/C4H2BrIN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKey
ZEZKXPQIDURFKA-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(nc1)I
Isomeric Smiles
c1c(cnc(n1)I)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8643486
LogD (pH = 7.4)
1.8643486
Log P
1.8643486
Molar Refractivity
43.0482
Polarizability
17.252792
Polar Surface Area
25.78
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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