Molecule

ID:77562

General Information
Structure
MolImage
Molecular Formula
C₈H₆BrIO₂
Molecular Mass
340.94051
Exact Mass
339.85958943
Charge
0
InChI
InChI=1S/C8H6BrIO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChIKey
CJRHLSZJEFJDLA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Br)ccc1I
Isomeric Smiles
O(C(=O)c1c(ccc(c1)Br)I)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6744199
LogD (pH = 7.4)
3.6744199
Log P
3.6744199
Molar Refractivity
59.0686
Polarizability
23.107893
Polar Surface Area
26.3
Rotatable Bonds
2
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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