Molecule

ID:29247

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO₂
Molecular Mass
271.35414
Exact Mass
271.15722892
Charge
0
InChI
InChI=1S/C17H21NO2/c1-2-18-14-15-7-6-10-17(13-15)20-12-11-19-16-8-4-3-5-9-16/h3-10,13,18H,2,11-12,14H2,1H3
InChIKey
AJVSEJQOXMJKJK-UHFFFAOYSA-N
Canonic Smiles
CCNCc1cccc(c1)OCCOc1ccccc1
Isomeric Smiles
c1c(OCCOc2ccccc2)cccc1CNCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.18877725
LogD (pH = 7.4)
1.2071579
Log P
3.374781
Molar Refractivity
81.07
Polarizability
32.032326
Polar Surface Area
30.49
Rotatable Bonds
8
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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