Molecule

ID:102627

General Information
Structure
MolImage
Molecular Formula
C₁₉H₄₀ClNO₂
Molecular Mass
349.9794
Exact Mass
349.27475721
Charge
0
InChI
InChI=1S/C19H40NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-18-17-20(2,3)4;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKey
CNJMYRYCYNAIOF-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Cl-]
Isomeric Smiles
[Cl-].CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3696474
LogD (pH = 7.4)
1.3696474
Log P
1.3696474
Molar Refractivity
106.5834
Polarizability
37.96276
Polar Surface Area
26.3
Rotatable Bonds
16
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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