Molecule

ID:46675

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆ClNO
Molecular Mass
331.87954
Exact Mass
331.17029214
Charge
0
InChI
InChI=1S/C20H25NO.ClH/c1-2-4-18(5-3-1)16-19-6-8-20(9-7-19)22-15-12-17-10-13-21-14-11-17;/h1-9,17,21H,10-16H2;1H
InChIKey
QQDDEMNORHURQQ-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CCOc1ccc(cc1)Cc1ccccc1.Cl
Isomeric Smiles
N1CCC(CCOc2ccc(Cc3ccccc3)cc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1467566
LogD (pH = 7.4)
1.6031467
Log P
4.3783426
Molar Refractivity
91.9108
Polarizability
36.115967
Polar Surface Area
21.26
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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