Molecule

ID:14764

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉ClN₂O
Molecular Mass
290.78786
Exact Mass
290.11859092
Charge
0
InChI
InChI=1S/C16H18N2O.ClH/c1-2-10-19-16-8-4-3-7-15(16)13-18-12-14-6-5-9-17-11-14;/h2-9,11,18H,1,10,12-13H2;1H
InChIKey
XUWJLTUKXAHZIY-UHFFFAOYSA-N
Canonic Smiles
C=CCOc1ccccc1CNCc1cccnc1.Cl
Isomeric Smiles
c1ccc(c(c1)CNCc1cnccc1)OCC=C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.081264354
LogD (pH = 7.4)
1.816258
Log P
2.611974
Molar Refractivity
77.3876
Polarizability
30.222233
Polar Surface Area
34.15
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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