Molecule

ID:79743

General Information
Structure
Molecular Formula
C₁₉H₃₀ClNO₂
Molecular Mass
339.9
Exact Mass
339.19650689
Charge
0
InChI
InChI=1S/C19H30NO2.ClH/c1-5-13-20(14-6-2,15-7-3)16-12-19(21)17-8-10-18(22-4)11-9-17;/h8-12,16H,5-7,13-15H2,1-4H3;1H/q+1;/p-1
InChIKey
APEWFTPUQYJEDP-UHFFFAOYSA-M
Canonic Smiles
CCC[N+](/C=C/C(=O)c1ccc(cc1)OC)(CCC)CCC.[Cl-]
Isomeric Smiles
[N+](/C=C/C(=O)c1ccc(cc1)OC)(CCC)(CCC)CCC.[Cl-]
Calculated Properties
JChem
Acid pKa
15.203265
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.19320446
LogD (pH = 7.4)
0.19320445
Log P
0.19320446
Molar Refractivity
105.0076
Polarizability
36.236362
Polar Surface Area
26.3
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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