Molecule

ID:47244

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClINO
Molecular Mass
339.60037
Exact Mass
338.98868979
Charge
0
InChI
InChI=1S/C11H14INO.ClH/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11;/h3-6,11,13H,1-2,7-8H2;1H
InChIKey
CIQFWUIDZHNTAH-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)OC1CCCNC1.Cl
Isomeric Smiles
N1CC(Oc2ccc(I)cc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3218805
LogD (pH = 7.4)
0.8004507
Log P
2.8456802
Molar Refractivity
65.8193
Polarizability
26.078386
Polar Surface Area
21.26
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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