Molecule

ID:76431

General Information
Structure
MolImage
Molecular Formula
C₉H₉IO₂
Molecular Mass
276.07103
Exact Mass
275.96472753
Charge
0
InChI
InChI=1S/C9H9IO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-5H,1-2H3
InChIKey
YDTWTLOLPFLZHX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1I)C(=O)C
Isomeric Smiles
O=C(c1ccc(c(c1)I)OC)C
Calculated Properties
JChem
Acid pKa
16.175278
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3021665
LogD (pH = 7.4)
2.3021665
Log P
2.3021665
Molar Refractivity
56.2865
Polarizability
21.788147
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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