Molecule

ID:61465

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁IO₃
Molecular Mass
306.09701
Exact Mass
305.97529221
Charge
0
InChI
InChI=1S/C10H11IO3/c1-2-13-10(12)7-14-9-5-3-4-8(11)6-9/h3-6H,2,7H2,1H3
InChIKey
HEOIVYCQWPDJOI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COc1cccc(c1)I
Isomeric Smiles
C(=O)(COc1cc(I)ccc1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7252042
LogD (pH = 7.4)
2.7252042
Log P
2.7252042
Molar Refractivity
61.486
Polarizability
24.376173
Polar Surface Area
35.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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