Molecule

ID:23724

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(7)5(9)8-2-3/h1-2H,(H,8,9)
InChIKey
WAUPPDAXWKLNNU-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)I)O
Isomeric Smiles
c1(cnc(c(c1)I)O)Br
Calculated Properties
JChem
Acid pKa
9.6887665
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.744135
LogD (pH = 7.4)
2.7419646
Log P
2.7441628
Molar Refractivity
47.1808
Polarizability
18.578667
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
Molecule Details
References
Bioactivity
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