Molecule

ID:79514

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClIO₂
Molecular Mass
296.48951
Exact Mass
295.91010511
Charge
0
InChI
InChI=1S/C8H6ClIO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChIKey
ZDSIXLJPASGHDW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Cl)cc(c1)I
Isomeric Smiles
O(C(=O)c1cc(cc(c1)I)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.509712
LogD (pH = 7.4)
3.509712
Log P
3.509712
Molar Refractivity
56.2506
Polarizability
21.97919
Polar Surface Area
26.3
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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