Molecule
ID:69267
General Information
Molecular Formula
C₁₄H₁₁IO₂
Molecular Mass
338.14041
Exact Mass
337.98037759
Charge
0
InChI
InChI=1S/C14H11IO2/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
MSSYFJWOCVCQJJ-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)C(=O)OCc1ccccc1
Isomeric Smiles
C(=O)(c1ccc(cc1)I)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6301403
LogD (pH = 7.4)
4.6301403
Log P
4.6301403
Molar Refractivity
76.0584
Polarizability
29.386318
Polar Surface Area
26.3
Rotatable Bonds
4
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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