Molecule

ID:44855

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)12-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3
InChIKey
DNUFVBGZKFHSDQ-UHFFFAOYSA-N
Canonic Smiles
ICC1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(CC1CI)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.436328
LogD (pH = 7.4)
2.436328
Log P
2.436328
Molar Refractivity
64.8142
Polarizability
25.403913
Polar Surface Area
29.54
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
Molecule Details
References
Bioactivity
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