Molecule

ID:11103

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀ClNO₂
Molecular Mass
293.7885
Exact Mass
293.11825657
Charge
0
InChI
InChI=1S/C16H19NO2.ClH/c1-18-15-9-7-13(8-10-15)11-17-12-14-5-3-4-6-16(14)19-2;/h3-10,17H,11-12H2,1-2H3;1H
InChIKey
XRBRGFHURDKLIB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1ccccc1OC.Cl
Isomeric Smiles
c1c(ccc(c1)CNCc1c(cccc1)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.17207645
LogD (pH = 7.4)
1.8601792
Log P
2.9407253
Molar Refractivity
76.845
Polarizability
30.182281
Polar Surface Area
30.49
Rotatable Bonds
6
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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