Molecule

ID:29019

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₂
Molecular Mass
257.32756
Exact Mass
257.14157885
Charge
0
InChI
InChI=1S/C16H19NO2/c1-13-6-8-15(9-7-13)19-11-10-17-14-4-3-5-16(12-14)18-2/h3-9,12,17H,10-11H2,1-2H3
InChIKey
ONUUVVKSMFXRLX-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)NCCOc1ccc(cc1)C
Isomeric Smiles
c1c(NCCOc2ccc(cc2)C)cccc1OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4387848
LogD (pH = 7.4)
3.4457343
Log P
3.4458237
Molar Refractivity
78.3084
Polarizability
29.715221
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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