Molecule

ID:132123

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₄IN
Molecular Mass
418.95721
Exact Mass
416.90815824
Charge
0
InChI
InChI=1S/C10H16N.Cl4I/c1-11(2,3)9-10-7-5-4-6-8-10;1-5(2,3)4/h4-8H,9H2,1-3H3;/q+1;-1
InChIKey
IBXYFQYYVRYALP-UHFFFAOYSA-N
Canonic Smiles
C[N+](Cc1ccccc1)(C)C.Cl[I-](Cl)(Cl)Cl
Isomeric Smiles
C[N+](C)(C)Cc1ccccc1.Cl[I-](Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
18.822325
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-2.247694
LogD (pH = 7.4)
-2.247694
Log P
-2.247694
Molar Refractivity
60.5143
Polarizability
19.203337
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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