Molecule

ID:23790

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrINO
Molecular Mass
299.89189
Exact Mass
298.84427372
Charge
0
InChI
InChI=1S/C5H3BrINO/c6-3-1-4(9)5(7)8-2-3/h1-2,9H
InChIKey
TYKCQFLONIEXBQ-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)O)I
Isomeric Smiles
c1(cnc(c(c1)O)I)Br
Calculated Properties
JChem
Acid pKa
6.8872657
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1652398
LogD (pH = 7.4)
1.5837469
Log P
2.1822927
Molar Refractivity
46.5754
Polarizability
18.645939
Polar Surface Area
33.12
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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