Molecule

ID:47317

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)14-9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChIKey
RHFSGYQETBHLFA-UHFFFAOYSA-N
Canonic Smiles
Ic1ccccc1OC1CCNCC1.Cl
Isomeric Smiles
c1(OC2CCNCC2)c(I)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8191214
LogD (pH = 7.4)
0.02519756
Log P
2.3882773
Molar Refractivity
66.0401
Polarizability
26.089556
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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