Molecule

ID:37817

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂Cl₂N₂O₂
Molecular Mass
357.27478
Exact Mass
356.10583331
Charge
0
InChI
InChI=1S/C17H21ClN2O2.ClH/c1-4-22-17(21)16-11(2)14(12(3)20-16)10-19-9-13-7-5-6-8-15(13)18;/h5-8,19-20H,4,9-10H2,1-3H3;1H
InChIKey
VYZYXDVMBIUZOZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1[nH]c(c(c1C)CNCc1ccccc1Cl)C.Cl
Isomeric Smiles
[nH]1c(c(c(c1C(=O)OCC)C)CNCc1c(cccc1)Cl)C.Cl
Calculated Properties
JChem
Acid pKa
13.636474
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3050569
LogD (pH = 7.4)
3.029144
Log P
3.9332652
Molar Refractivity
90.3245
Polarizability
34.49564
Polar Surface Area
54.12
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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