Molecule

ID:13235

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO₂
Molecular Mass
271.35414
Exact Mass
271.15722892
Charge
0
InChI
InChI=1S/C17H21NO2/c1-3-20-17-10-6-15(7-11-17)13-18-12-14-4-8-16(19-2)9-5-14/h4-11,18H,3,12-13H2,1-2H3
InChIKey
MJJRPGPJYVYFRV-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)CNCc1ccc(cc1)OC
Isomeric Smiles
c1(CNCc2ccc(cc2)OCC)ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.2698066
LogD (pH = 7.4)
1.7567337
Log P
3.2975333
Molar Refractivity
81.5936
Polarizability
32.027664
Polar Surface Area
30.49
Rotatable Bonds
7
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
No Data Available
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Molecule Details
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References
Bioactivity
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