Molecule

ID:34147

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₂
Molecular Mass
269.7671
Exact Mass
269.11825657
Charge
0
InChI
InChI=1S/C14H19NO2.ClH/c16-14(17)13-7-4-9-15(11-13)10-8-12-5-2-1-3-6-12;/h1-3,5-6,13H,4,7-11H2,(H,16,17);1H
InChIKey
XKAKVBAGKSYUHS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)CCc1ccccc1.Cl
Isomeric Smiles
N1(CCc2ccccc2)CCCC(C1)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.823325
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.30496925
LogD (pH = 7.4)
-0.29908618
Log P
-0.2983016
Molar Refractivity
67.5836
Polarizability
26.290115
Polar Surface Area
40.54
Rotatable Bonds
4
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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