Molecule

ID:54752

General Information
Structure
Molecular Formula
C₁₉H₂₉IO₂
Molecular Mass
416.33683
Exact Mass
416.12122817
Charge
0
InChI
InChI=1S/C19H29IO2/c1-3-22-19(21)11-9-7-5-4-6-8-10-16(2)17-12-14-18(20)15-13-17/h12-16H,3-11H2,1-2H3
InChIKey
LAYLQVBQIBQVLL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCCCCCCCC(c1ccc(cc1)I)C
Isomeric Smiles
C(=O)(OCC)CCCCCCCCC(c1ccc(cc1)I)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.886209
LogD (pH = 7.4)
6.886209
Log P
6.886209
Molar Refractivity
101.6024
Polarizability
39.93465
Polar Surface Area
26.3
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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