Molecule

ID:47355

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClINO
Molecular Mass
339.60037
Exact Mass
338.98868979
Charge
0
InChI
InChI=1S/C11H14INO.ClH/c12-10-3-1-9(2-4-10)8-14-11-5-6-13-7-11;/h1-4,11,13H,5-8H2;1H
InChIKey
OWCFDZCFUOZMJI-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)COC1CNCC1.Cl
Isomeric Smiles
N1CCC(OCc2ccc(I)cc2)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.87239224
LogD (pH = 7.4)
-0.49105301
Log P
2.3617654
Molar Refractivity
66.2786
Polarizability
26.088274
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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