Molecule

ID:92983

General Information
Structure
MolImage
Molecular Formula
C₈H₆BrIO
Molecular Mass
324.94111
Exact Mass
323.86467481
Charge
0
InChI
InChI=1S/C8H6BrIO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey
FSIBMLJFLPWMTD-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1ccc(cc1)I
Isomeric Smiles
Ic1ccc(cc1)C(=O)CBr
Calculated Properties
JChem
Acid pKa
15.464449
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1826768
LogD (pH = 7.4)
3.1826768
Log P
3.1826768
Molar Refractivity
57.56
Polarizability
22.227663
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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