Molecule

ID:51817

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃ClN₂O₂
Molecular Mass
358.86182
Exact Mass
358.14480567
Charge
0
InChI
InChI=1S/C20H22N2O2.ClH/c21-14-9-11-22(12-10-14)20(23)24-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;/h1-8,14,19H,9-13,21H2;1H
InChIKey
YIXVYQOOGAVFMH-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)OCC1c2ccccc2c2c1cccc2.Cl
Isomeric Smiles
C1(c2c(c3c1cccc3)cccc2)COC(=O)N1CCC(CC1)N.Cl
Calculated Properties
JChem
Acid pKa
17.404562
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.58440036
LogD (pH = 7.4)
-0.015406307
Log P
2.4334235
Molar Refractivity
94.2771
Polarizability
38.005672
Polar Surface Area
55.56
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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