Molecule

ID:53190

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃ClN₂O₂
Molecular Mass
358.86182
Exact Mass
358.14480567
Charge
0
InChI
InChI=1S/C20H22N2O2.ClH/c23-19(24-14-16-6-2-1-3-7-16)22-15-20(10-12-21-13-11-20)17-8-4-5-9-18(17)22;/h1-9,21H,10-15H2;1H
InChIKey
RYRYYTKTCIUNOB-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC2(c3c1cccc3)CCNCC2)OCc1ccccc1.Cl
Isomeric Smiles
C1CNCCC21CN(c1c2cccc1)C(=O)OCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.15609373
LogD (pH = 7.4)
0.56355643
Log P
3.0617044
Molar Refractivity
93.6826
Polarizability
36.608906
Polar Surface Area
41.57
Rotatable Bonds
3
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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