Molecule

ID:14479

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-2-18-16-10-8-15(9-11-16)13-17-12-14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3
InChIKey
VKFOETOUGVTWQX-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CNCc1ccccc1
Isomeric Smiles
c1(ccc(cc1)OCC)CNCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.39431947
LogD (pH = 7.4)
1.8278072
Log P
3.4552045
Molar Refractivity
75.1304
Polarizability
29.546637
Polar Surface Area
21.26
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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