Molecule
ID:83318
General Information
Molecular Formula
C₁₁H₇IO₂
Molecular Mass
298.07655
Exact Mass
297.94907746
Charge
0
InChI
InChI=1S/C11H7IO2/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(13)14/h1-6H,(H,13,14)
InChIKey
UEDVMWGDQHAVSS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1c(I)ccc2
Isomeric Smiles
O=C(c1cccc2c1c(ccc2)I)O
Calculated Properties
JChem
Acid pKa
3.5056424
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5630007
LogD (pH = 7.4)
0.1755573
Log P
3.54925
Molar Refractivity
63.1269
Polarizability
25.20827
Polar Surface Area
37.3
Rotatable Bonds
1
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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