Molecule

ID:45697

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₂
Molecular Mass
269.7671
Exact Mass
269.11825657
Charge
0
InChI
InChI=1S/C14H19NO2.ClH/c16-14(9-12-5-2-1-3-6-12)17-11-13-7-4-8-15-10-13;/h1-3,5-6,13,15H,4,7-11H2;1H
InChIKey
SVMYOPRSRWIVTA-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1ccccc1)OCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(OCC1CNCCC1)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3264033
LogD (pH = 7.4)
-0.81088
Log P
1.9028038
Molar Refractivity
67.0103
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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