Molecule

ID:68222

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈INO₂
Molecular Mass
311.15989
Exact Mass
311.03822682
Charge
0
InChI
InChI=1S/C10H18INO2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8H,4-7H2,1-3H3
InChIKey
JXEZFSNOYBRXFT-UHFFFAOYSA-N
Canonic Smiles
IC1CCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(CCC1)I)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6544104
LogD (pH = 7.4)
2.6544104
Log P
2.6544104
Molar Refractivity
64.6014
Polarizability
25.407356
Polar Surface Area
29.54
Rotatable Bonds
2
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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