Molecule

ID:13233

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO₂
Molecular Mass
257.32756
Exact Mass
257.14157885
Charge
0
InChI
InChI=1S/C16H19NO2/c1-18-15-8-6-13(7-9-15)11-17-12-14-4-3-5-16(10-14)19-2/h3-10,17H,11-12H2,1-2H3
InChIKey
DREJPPMSQIJNBY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1cccc(c1)OC
Isomeric Smiles
c1cc(cc(c1)CNCc1ccc(cc1)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.06083777
LogD (pH = 7.4)
1.4610896
Log P
2.9407253
Molar Refractivity
76.845
Polarizability
30.182066
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
No Data Available
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Molecule Details
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References
Bioactivity
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