Molecule

ID:47330

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO₂
Molecular Mass
271.78298
Exact Mass
271.13390663
Charge
0
InChI
InChI=1S/C14H21NO2.ClH/c1-3-4-11-5-6-13(14(9-11)16-2)17-12-7-8-15-10-12;/h5-6,9,12,15H,3-4,7-8,10H2,1-2H3;1H
InChIKey
BOJLJCRZXHRLMO-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(c(c1)OC)OC1CNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)CCC)OC)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5855
LogD (pH = 7.4)
-0.083001904
Log P
2.6442604
Molar Refractivity
68.5186
Polarizability
27.136105
Polar Surface Area
30.49
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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