Molecule

ID:79741

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₀ClNO
Molecular Mass
323.9006
Exact Mass
323.20159227
Charge
0
InChI
InChI=1S/C19H30NO.ClH/c1-5-13-20(14-6-2,15-7-3)16-12-19(21)18-10-8-17(4)9-11-18;/h8-12,16H,5-7,13-15H2,1-4H3;1H/q+1;/p-1
InChIKey
OVEFICUSMNCNOW-UHFFFAOYSA-M
Canonic Smiles
CCC[N+](/C=C/C(=O)c1ccc(cc1)C)(CCC)CCC.[Cl-]
Isomeric Smiles
[N+](/C=C/C(=O)c1ccc(cc1)C)(CCC)(CCC)CCC.[Cl-]
Calculated Properties
JChem
Acid pKa
15.16496
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8642971
LogD (pH = 7.4)
0.8642971
Log P
0.8642971
Molar Refractivity
103.5856
Polarizability
35.514324
Polar Surface Area
17.07
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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