Molecule

ID:45698

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₂
Molecular Mass
269.7671
Exact Mass
269.11825657
Charge
0
InChI
InChI=1S/C14H19NO2.ClH/c16-14(10-12-4-2-1-3-5-12)17-11-13-6-8-15-9-7-13;/h1-5,13,15H,6-11H2;1H
InChIKey
XWUWUDDSRIKFJW-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1ccccc1)OCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(OCC1CCNCC1)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3701737
LogD (pH = 7.4)
-0.90940225
Log P
1.8612471
Molar Refractivity
67.1091
Polarizability
26.622427
Polar Surface Area
38.33
Rotatable Bonds
5
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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