Molecule

ID:50040

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O₂
Molecular Mass
270.75516
Exact Mass
270.11350554
Charge
0
InChI
InChI=1S/C13H18N2O2.ClH/c1-17-11-7-5-10(6-8-11)15-13(16)12-4-2-3-9-14-12;/h5-8,12,14H,2-4,9H2,1H3,(H,15,16);1H
InChIKey
NWRYNZUWXOSRDJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(=O)C1CCCCN1.Cl
Isomeric Smiles
C(=O)(Nc1ccc(cc1)OC)C1NCCCC1.Cl
Calculated Properties
JChem
Acid pKa
13.840556
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2200711
LogD (pH = 7.4)
0.43358445
Log P
1.6240579
Molar Refractivity
67.4058
Polarizability
25.886772
Polar Surface Area
50.36
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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