Molecule

ID:20700

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃NO₂
Molecular Mass
297.39142
Exact Mass
297.17287898
Charge
0
InChI
InChI=1S/C19H23NO2/c1-2-5-16(6-3-1)14-21-18-8-10-19(11-9-18)22-15-17-7-4-12-20-13-17/h1-3,5-6,8-11,17,20H,4,7,12-15H2
InChIKey
ZGZUSJFOLZMTLE-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)COc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
N1CC(COc2ccc(OCc3ccccc3)cc2)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.30640486
LogD (pH = 7.4)
0.96399206
Log P
3.5282922
Molar Refractivity
88.4726
Polarizability
34.983818
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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