Molecule

ID:29703

General Information
Structure
MolImage
Molecular Formula
C₉H₇IO₃
Molecular Mass
290.05455
Exact Mass
289.94399208
Charge
0
InChI
InChI=1S/C9H7IO3/c10-7-1-3-8(4-2-7)13-9(5-11)6-12/h1-6,9H
InChIKey
UYOQONYSKPXZHI-UHFFFAOYSA-N
Canonic Smiles
O=CC(Oc1ccc(cc1)I)C=O
Isomeric Smiles
O(C(C=O)C=O)c1ccc(I)cc1
Calculated Properties
JChem
Acid pKa
5.1026955
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3567594
LogD (pH = 7.4)
-0.34152174
Log P
1.8995879
Molar Refractivity
56.0976
Polarizability
21.986446
Polar Surface Area
43.37
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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