Molecule

ID:46742

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClINO
Molecular Mass
339.60037
Exact Mass
338.98868979
Charge
0
InChI
InChI=1S/C11H14INO.ClH/c12-10-3-1-2-4-11(10)14-8-9-5-6-13-7-9;/h1-4,9,13H,5-8H2;1H
InChIKey
FJORWFKIDQQKGH-UHFFFAOYSA-N
Canonic Smiles
Ic1ccccc1OCC1CNCC1.Cl
Isomeric Smiles
N1CC(COc2c(I)cccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7937071
LogD (pH = 7.4)
-0.6350971
Log P
2.445866
Molar Refractivity
66.1583
Polarizability
26.089706
Polar Surface Area
21.26
Rotatable Bonds
3
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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