Molecule

ID:20776

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O₂
Molecular Mass
284.78174
Exact Mass
284.1291556
Charge
0
InChI
InChI=1S/C14H20N2O2.ClH/c1-11(17)16-13-3-2-4-14(9-13)18-10-12-5-7-15-8-6-12;/h2-4,9,12,15H,5-8,10H2,1H3,(H,16,17);1H
InChIKey
WSMFJXHSOOQXCN-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)OCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(Nc1cc(OCC2CCNCC2)ccc1)C.Cl
Calculated Properties
JChem
Acid pKa
13.94336
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.073777
LogD (pH = 7.4)
-1.6130037
Log P
1.1576439
Molar Refractivity
72.3586
Polarizability
27.728994
Polar Surface Area
50.36
Rotatable Bonds
4
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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