Molecule
ID:79742
General Information
Molecular Formula
C₂₀H₃₂ClNO
Molecular Mass
337.92718
Exact Mass
337.21724233
Charge
0
InChI
InChI=1S/C20H32NO.ClH/c1-5-14-21(15-6-2,16-7-3)17-13-20(22)19-11-9-18(8-4)10-12-19;/h9-13,17H,5-8,14-16H2,1-4H3;1H/q+1;/p-1
InChIKey
XFFIFEKRRDICTB-UHFFFAOYSA-M
Canonic Smiles
CCC[N+](/C=C/C(=O)c1ccc(cc1)CC)(CCC)CCC.[Cl-]
Isomeric Smiles
[N+](/C=C/C(=O)c1ccc(cc1)CC)(CCC)(CCC)CCC.[Cl-]
Calculated Properties
JChem
Acid pKa
15.152475
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3088658
LogD (pH = 7.4)
1.3088658
Log P
1.3088658
Molar Refractivity
108.1866
Polarizability
37.36004
Polar Surface Area
17.07
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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