Molecule

ID:47078

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₂
Molecular Mass
269.7671
Exact Mass
269.11825657
Charge
0
InChI
InChI=1S/C14H19NO2.ClH/c1-11(16)13-6-2-3-7-14(13)17-10-12-5-4-8-15-9-12;/h2-3,6-7,12,15H,4-5,8-10H2,1H3;1H
InChIKey
ZZSBMUWCTPYIMG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccccc1OCC1CCCNC1.Cl
Isomeric Smiles
c1(C(=O)C)c(OCC2CNCCC2)cccc1.Cl
Calculated Properties
JChem
Acid pKa
15.624515
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.697685
LogD (pH = 7.4)
-0.96453965
Log P
1.5191377
Molar Refractivity
67.7996
Polarizability
26.588848
Polar Surface Area
38.33
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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