Molecule

ID:135105

General Information
Structure
MolImage
Molecular Formula
C₈H₇IO₂
Molecular Mass
268.00037903
Exact Mass
267.96920649
Charge
0
InChI
InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3/i2+1,3+1,4+1,5+1,6+1,7+1
InChIKey
DYUWQWMXZHDZOR-WBJZHHNVSA-N
Canonic Smiles
COC(=O)[13c]1[13cH][13cH][13c]([13cH][13cH]1)I
Isomeric Smiles
COC(=O)[13c]1[13cH][13cH][13c]([13cH][13cH]1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9056673
LogD (pH = 7.4)
2.9056673
Log P
2.9056673
Molar Refractivity
51.4458
Polarizability
19.985182
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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