Molecule

ID:29125

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₂
Molecular Mass
257.32756
Exact Mass
257.14157885
Charge
0
InChI
InChI=1S/C16H19NO2/c1-13-7-3-5-9-15(13)19-12-11-17-14-8-4-6-10-16(14)18-2/h3-10,17H,11-12H2,1-2H3
InChIKey
NLSQNAUUWKGPJN-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NCCOc1ccccc1C
Isomeric Smiles
c1(c(OC)cccc1)NCCOc1c(C)cccc1
Calculated Properties
JChem
Acid pKa
19.252766
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4039578
LogD (pH = 7.4)
3.4452705
Log P
3.4458237
Molar Refractivity
78.3084
Polarizability
29.717735
Polar Surface Area
30.49
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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