Molecule

ID:14919

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₂
Molecular Mass
269.7671
Exact Mass
269.11825657
Charge
0
InChI
InChI=1S/C14H19NO2.ClH/c1-11-7-9-15(10-8-11)13(14(16)17)12-5-3-2-4-6-12;/h2-6,11,13H,7-10H2,1H3,(H,16,17);1H
InChIKey
BPMVLWWUPAGSOZ-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)C(c1ccccc1)C(=O)O.Cl
Isomeric Smiles
C(N1CCC(CC1)C)(c1ccccc1)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
1.7678366
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.011520593
LogD (pH = 7.4)
0.01091141
Log P
0.011547654
Molar Refractivity
67.1212
Polarizability
26.36295
Polar Surface Area
40.54
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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