Molecule

ID:45880

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₂
Molecular Mass
269.7671
Exact Mass
269.11825657
Charge
0
InChI
InChI=1S/C14H19NO2.ClH/c16-14(13-6-2-1-3-7-13)17-10-8-12-5-4-9-15-11-12;/h1-3,6-7,12,15H,4-5,8-11H2;1H
InChIKey
ODNUQXFFLDEMKH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)OCCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(c1ccccc1)OCCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.70867175
LogD (pH = 7.4)
-0.33262134
Log P
2.5256505
Molar Refractivity
67.6587
Polarizability
26.595604
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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