Molecule
ID:121742
General Information
Molecular Formula
C₁₈H₂₁NO₂
Molecular Mass
283.36484
Exact Mass
283.15722892
Charge
0
InChI
InChI=1S/C18H21NO2/c1-3-20-18(21-4-2)13-19-16-11-7-5-9-14(16)15-10-6-8-12-17(15)19/h5-12,18H,3-4,13H2,1-2H3
InChIKey
LKPOZQBIMXOJIZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(Cn1c2ccccc2c2c1cccc2)OCC
Isomeric Smiles
n1(c2c(c3c1cccc3)cccc2)CC(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2601047
LogD (pH = 7.4)
4.2601047
Log P
4.2601047
Molar Refractivity
84.6907
Polarizability
35.499866
Polar Surface Area
23.39
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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