Molecule

ID:55299

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)10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13;/h1-5,12H,6-11H2,(H,16,17);1H
InChIKey
GBHAAUKHXCERKW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1CCN(CC1)Cc1ccccc1.Cl
Isomeric Smiles
N1(CCC(CC1)CC(=O)O)Cc1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
4.2129717
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.569209
LogD (pH = 7.4)
-0.5575297
Log P
-0.5541222
Molar Refractivity
67.5577
Polarizability
26.364883
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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