Molecule

ID:46628

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆ClNO₂
Molecular Mass
347.87894
Exact Mass
347.16520676
Charge
0
InChI
InChI=1S/C20H25NO2.ClH/c1-2-6-17(7-3-1)16-23-20-11-9-19(10-12-20)22-15-13-18-8-4-5-14-21-18;/h1-3,6-7,9-12,18,21H,4-5,8,13-16H2;1H
InChIKey
OJTHQTZOJMTDIF-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCOc1ccc(cc1)OCc1ccccc1.Cl
Isomeric Smiles
N1C(CCOc2ccc(OCc3ccccc3)cc2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7625312
LogD (pH = 7.4)
1.3554337
Log P
3.988066
Molar Refractivity
92.999
Polarizability
36.8296
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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