Molecule

ID:82073

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₂
Molecular Mass
273.37002
Exact Mass
273.17287898
Charge
0
InChI
InChI=1S/C17H23NO2/c1-20-16-8-3-2-7-15(16)13-9-11-18(12-10-13)17(19)14-5-4-6-14/h2-3,7-8,13-14H,4-6,9-12H2,1H3
InChIKey
QTCJMGOUQOSHRR-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C1CCN(CC1)C(=O)C1CCC1
Isomeric Smiles
N1(C(=O)C2CCC2)CCC(c2ccccc2OC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7549443
LogD (pH = 7.4)
2.7549467
Log P
2.7549467
Molar Refractivity
79.5083
Polarizability
31.01016
Polar Surface Area
29.54
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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