Molecule

ID:74027

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClIO₂
Molecular Mass
298.50539
Exact Mass
297.92575518
Charge
0
InChI
InChI=1S/C8H8ClIO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,1-2H3
InChIKey
PABWCPGHJWYJSC-UHFFFAOYSA-N
Canonic Smiles
COc1cc(I)c(cc1Cl)OC
Isomeric Smiles
Clc1c(cc(c(c1)OC)I)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1908925
LogD (pH = 7.4)
3.1908925
Log P
3.1908925
Molar Refractivity
57.1517
Polarizability
22.591291
Polar Surface Area
18.46
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
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References
Bioactivity
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