Molecule
ID:52929
General Information
Molecular Formula
C₉H₉IO₃
Molecular Mass
292.07043
Exact Mass
291.95964215
Charge
0
InChI
InChI=1S/C9H9IO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3
InChIKey
GALFBPQYWHBOPA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)OC)I
Isomeric Smiles
c1cc(c(cc1C(=O)OC)OC)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.747996
LogD (pH = 7.4)
2.747996
Log P
2.747996
Molar Refractivity
57.909
Polarizability
22.560505
Polar Surface Area
35.53
Rotatable Bonds
3
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
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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