Molecule

ID:10643

General Information
Structure
MolImage
Molecular Formula
C₇H₅IO
Molecular Mass
232.01847
Exact Mass
231.93851278
Charge
0
InChI
InChI=1S/C7H5IO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKey
NIEBHDXUIJSHSL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)I
Isomeric Smiles
O=Cc1ccc(I)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6146927
LogD (pH = 7.4)
2.6146927
Log P
2.6146927
Molar Refractivity
46.0045
Polarizability
17.413862
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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
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Bioactivity
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