Molecule

ID:46786

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClINO
Molecular Mass
353.62695
Exact Mass
353.00433985
Charge
0
InChI
InChI=1S/C12H16INO.ClH/c13-12-3-1-10(2-4-12)8-15-9-11-5-6-14-7-11;/h1-4,11,14H,5-9H2;1H
InChIKey
VIHXAEYKQVVDTL-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)COCC1CNCC1.Cl
Isomeric Smiles
N1CC(COCc2ccc(I)cc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.76116383
LogD (pH = 7.4)
-0.65455186
Log P
2.479314
Molar Refractivity
71.2622
Polarizability
27.907398
Polar Surface Area
21.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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