Molecule

ID:47254

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO₂
Molecular Mass
271.78298
Exact Mass
271.13390663
Charge
0
InChI
InChI=1S/C14H21NO2.ClH/c1-2-10-16-12-5-7-13(8-6-12)17-14-4-3-9-15-11-14;/h5-8,14-15H,2-4,9-11H2,1H3;1H
InChIKey
YNAUWHVDAXBWMR-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)OC1CCCNC1.Cl
Isomeric Smiles
N1CC(Oc2ccc(cc2)OCCC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.53230715
LogD (pH = 7.4)
0.5743074
Log P
2.6383948
Molar Refractivity
68.1926
Polarizability
27.213125
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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