Molecule

ID:47352

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClINO
Molecular Mass
353.62695
Exact Mass
353.00433985
Charge
0
InChI
InChI=1S/C12H16INO.ClH/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12;/h1-4,12,14H,5-9H2;1H
InChIKey
LEJCCLJVMDYJMK-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)COC1CCNCC1.Cl
Isomeric Smiles
N1CCC(OCc2ccc(I)cc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.79820865
LogD (pH = 7.4)
-0.1097856
Log P
2.4217253
Molar Refractivity
71.144
Polarizability
27.907396
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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