Molecule

ID:46626

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆ClNO₂
Molecular Mass
347.87894
Exact Mass
347.16520676
Charge
0
InChI
InChI=1S/C20H25NO2.ClH/c1-2-4-18(5-3-1)16-23-20-8-6-19(7-9-20)22-15-12-17-10-13-21-14-11-17;/h1-9,17,21H,10-16H2;1H
InChIKey
PULGUARPANYPQV-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CCOc1ccc(cc1)OCc1ccccc1.Cl
Isomeric Smiles
N1CCC(CCOc2ccc(OCc3ccccc3)cc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.62176454
LogD (pH = 7.4)
1.0781544
Log P
3.8533502
Molar Refractivity
93.2494
Polarizability
36.829605
Polar Surface Area
30.49
Rotatable Bonds
7
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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