Molecule

ID:46262

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂ClNO₂
Molecular Mass
271.78298
Exact Mass
271.13390663
Charge
0
InChI
InChI=1S/C14H21NO2.ClH/c1-16-9-7-12-2-4-14(5-3-12)17-11-13-6-8-15-10-13;/h2-5,13,15H,6-11H2,1H3;1H
InChIKey
RQSCPXRBPUBBOF-UHFFFAOYSA-N
Canonic Smiles
COCCc1ccc(cc1)OCC1CNCC1.Cl
Isomeric Smiles
N1CC(COc2ccc(cc2)CCOC)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5582136
LogD (pH = 7.4)
-1.3996037
Log P
1.6813595
Molar Refractivity
69.1179
Polarizability
27.149857
Polar Surface Area
30.49
Rotatable Bonds
6
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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